SCHEMBL50155

SCHEMBL50155

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)CO)c2cc1C.[Na+].[Na+]

nearest known ligand 0.73

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 1/20 0.63
PTGS2 known ✓ P35354 1/20 0.63
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
USP2 O75604 4/20 0.73
KDM4E B2RXH2 4/20 0.73
HAT1 O14929 4/20 0.73
RBBP7 Q16576 4/20 0.73
HTT P42858 4/20 0.73
RECQL P46063 3/20 0.73
CASP7 P55210 3/20 0.73
MAPT P10636 3/20 0.73
CASP1 P29466 2/20 0.73
BRCA1 P38398 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TST Q16762 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
LMNA P02545 1/20 0.73
HBB P68871 1/20 0.73
ALDH1A1 P00352 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2244132 0.99 MEN1 (0.72) MEN1KMT2AUSP2KDM4EHAT1
SCHEMBL10324834 0.95 MEN1 (0.70) MEN1KMT2AUSP2KDM4EHAT1
SCHEMBL50097 0.92 MEN1 (0.74) MEN1KMT2AUSP2KDM4EHAT1
SCHEMBL6369069 0.91 MEN1 (0.73) MEN1KMT2AUSP2KDM4EHAT1
Water SCHEMBL2005233 0.90 MEN1 (0.72) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL296802 0.89 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL21805317 0.89 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL618997 0.89 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL535031 0.88 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL50154 0.88 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11975102-B2 All-in-one lyophilized multivitamin emulsion for parenteral application FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2024-05-07 US claimed
WO-2021261599-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR NOVEL CORONA VIRUS INFECTIOUS DISEASE 荒木 誠一 2021-12-30 WO claimed
CN-112932991-A Phospholipid composition, preparation method thereof and scalp care solution containing same 广州增城潮徽生物技术有限公司 2021-06-11 CN claimed
CN-112638357-A Composition for promoting differentiation or proliferation of human adipose-derived stem cells 株式会社LG生活健康 2021-04-09 CN claimed
US-20210032725-A1 Methods of Rare Earth Metal Recovery from Electronic Waste WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2021-02-04 US claimed
US-20200297638-A1 All-in-one lyophilized multivitamin emulsion for parenteral application FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2020-09-24 US claimed
CN-106674225-B A kind of Riboflavin sodium phosphate compound and its pharmaceutical composition 珠海同源药业有限公司 2019-04-02 CN claimed
CN-106674225-A Riboflavin sodium phosphate compound and pharmaceutical composition thereof 珠海同源药业有限公司 2017-05-17 CN claimed
CN-104327120-B A kind of Riboflavin sodium phosphate compound injection and preparation method thereof 江西国药有限责任公司 2016-08-17 CN claimed
CN-105399772-A Synthetic method and technology of riboflavin sodium phosphate TIANJIN FENGRUN CHEMICAL TRADE CO LTD 2016-03-16 CN claimed
CN-102617643-A Riboflavin sodium phosphate compound JINXIU HUANG 2012-08-01 CN claimed
CN-102260291-A Riboflavin sodium phosphate crystalline compound, pharmaceutical composition thereof, and preparation method thereof 2011-11-30 CN claimed
US-20110117194-A1 PHARMACEUTICAL FORMULATION CONTAINING ANGIOTENSIN-II RECEPTOR BLOCKER HANALL BIOPHARMA CO., LTD. (KR) 2011-05-19 US claimed
EP-2281557-A2 PHARMACEUTICAL FORMULATION CONTAINING ANGIOTENSIN-II RECEPTOR BLOCKER HanAll Biopharma Co., Ltd. (KR) 2011-02-09 EP claimed
EP-2066321-A2 TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE WITH ANTI-PROLIFERATE AND ANTI-INFLAMMATORY DRUGS Lutonix, Inc. (US) 2009-06-10 EP claimed
US-20080175887-A1 drug delivering by oral, nasal or pulmonary administration, of rapamycin or paclitaxel drug; additive enhances absorption of drug into body tissue; PEG-fatty acids esters, PEG-fatty alcohol ethers, polyethylene glycol sorbitan fatty acid esters, polyoxyethylene-polyoxypropylene block copolymers LUTONIX, INC. 2008-07-24 US claimed
WO-2008063581-A2 TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE WITH ANTI-PROLIFERATE AND ANTI-INFLAMMATORY DRUGS LUTONIX, INC. (US) 2008-05-29 WO claimed
US-20030091648-A1 Process for producing coated preparation and its use KAKIGUCHI YOSHITOMI (JP) 2003-05-15 US claimed
EP-0497177-B1 Vitamin containing formulations and their production HOFFMANN LA ROCHE (CH) 1995-01-18 EP claimed
US-5185336-A Spray drying aqueous solution or suspension HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US claimed