SCHEMBL602304

SCHEMBL602304

Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.58

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
P2RY12 known ✓ Q9H244 1/20 0.40
RAD51 Q06609 11/20 0.58
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 2/20 0.53
LTA P01374 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
P2RX3 P56373 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTR6 P50406 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 2/20 0.36
LMNA P02545 2/20 0.35
MPO P05164 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31389378 1.00 RAD51 (0.58) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL29692691 1.00 RAD51 (0.58) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL6397268 1.00 RAD51 (0.58) RAD51ALDH1A1CYP3A4KDM4EUSP2
Lithium Ion SCHEMBL8492595 0.96 RAD51 (0.58) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL5858436 0.92 RAD51 (0.50) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL5754531 0.92 RAD51 (0.50) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL5749384 0.89 RAD51 (0.51) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL2111817 0.87 RAD51 (0.44) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL6050517 0.86 RAD51 (0.66) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL2391195 0.86 RAD51 (0.66) RAD51ALDH1A1CYP3A4KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115228291-B Anti-pollution, antibacterial and high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2024-06-25 CN claimed
CN-115228291-A Anti-pollution, antibacterial and large-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-10-25 CN claimed
WO-2017072788-A1 IMPROVED OPTICAL BRIGHTENING AGENT FOR DETERGENT FORMULATIONS AND A PROCESS FOR PREPARING THE SAME DEEPAK NITRITE LIMITED (IN) 2017-05-04 WO claimed
EP-0977545-B1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-02-16 EP claimed
EP-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 US claimed
US-4299910-A AMINO AND/OR NITRO-SUBSTITUTED STILBENE DISULFONIC ACIDS RCA CORPORATION (US) 1981-11-10 US claimed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 US claimed
JP-56019009-A None JP disclosed
CN-115228291-B Anti-pollution, antibacterial and high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2024-06-25 CN disclosed
CN-115228291-A Anti-pollution, antibacterial and large-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-10-25 CN disclosed
WO-2021106798-A1 POLARIZED LIGHT-EMITTING ELEMENT, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE 日本化薬株式会社 2021-06-03 WO disclosed
EP-3395911-A1 COLORING COMPOSITION, INKJET INK, AND PRINTING METHOD FUJIFILM Corporation (JP) 2018-10-31 EP disclosed
US-20180298196-A1 COLORING COMPOSITION, INK JET INK, AND TEXTILE PRINTING METHOD FUJIFILM CORPORATION (JP) 2018-10-18 US disclosed
US-4005026-A Detergent compositions containing novel crystalline forms of optical brighteners STERLING DRUG INC. (US) 1977-01-25 US disclosed
US-3970647-A Bis-(triazinylamino)stilbene compounds SANDOZ LTD. (CH) 1976-07-20 US disclosed
US-3954740-A Bis-s-triazinylamino-stilbene-2,2'-disulphonic acids, their manufacture and their use as optical brighteners CIBA-GEIGY CORPORATION (US) 1976-05-04 US disclosed
US-3951960-A BIS-TRIAZINYLAMINOSTILBENE STERLING DRUG INC. (US) 1976-04-20 US disclosed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 US disclosed
US-3936497-A HYDROGENATION OF DINITRO WITH NICKEL CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-03 US disclosed