SCHEMBL9640525

SCHEMBL9640525

C=CCS(=O)[O-].[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Potassium Ion SCHEMBL10776732 0.67
SCHEMBL5794937 0.67
Potassium Ion SCHEMBL10776735 0.67
SCHEMBL38662897 0.65
Diallyl Sulfide SCHEMBL27897274 0.65 ALOX5 (0.61)
Sulfurous Acid SCHEMBL28050923 0.65 CA1 (0.34)
SCHEMBL1139865 0.65
SCHEMBL17501260 0.62
SCHEMBL30988852 0.61
Sulfurous Acid SCHEMBL5135416 0.61 BBOX1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511166-A A kind of synthetic method of two arylmethyls alkyl sulfone UNIV CHENGDU TECHNOLOGY 2019-11-29 CN claimed
CN-106631926-B A kind of method of selectivity synthesis aryl methyl sulfone and beta-hydroxylic sulfone derivation 华南理工大学 2018-12-14 CN claimed
CN-106631926-A Method for selectively compounding aryl methyl sulphone and belta-hydroxy sulphone derivative 华南理工大学 2017-05-10 CN claimed
EP-0374568-B1 OILY DROPLET OF HYDROPHOBIC MATERIAL, MICROCAPSULE, AND PROCESSES FOR PREPARING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1992-08-26 EP claimed
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
CN-110256427-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-02-22 CN disclosed
CN-108699057-B 5-substituted 2- (morpholin-4-yl) -1, 7-naphthyridines 拜耳医药股份公司 2021-11-09 CN disclosed
EP-3395818-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2021-09-22 EP disclosed
US-20200383991-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-12-10 US disclosed
US-10772893-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-15 US disclosed
US-10729680-B2 5-substituted 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-04 US disclosed
EP-3177619-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2017-06-14 EP disclosed
CN-106795156-A 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2017-05-31 CN disclosed
CN-106631926-A Method for selectively compounding aryl methyl sulphone and belta-hydroxy sulphone derivative 华南理工大学 2017-05-10 CN disclosed
US-9549932-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-24 US disclosed
US-20160287604-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 CN disclosed
WO-2016020320-A1 2-(MORPHOLIN-4-YL)-L,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-11 WO disclosed
CN-104114614-A COLD-BOX BINDING AGENT SYSTEMS AND MIXTURES FOR USE AS ADDITIVES FOR SUCH BINDING AGENT SYSTEMS HUETTENES ALBERTUS 2014-10-22 CN disclosed