SCHEMBL6512418

SCHEMBL6512418

O=[N+]([O-])c1cc(C(Cl)(Cl)Cl)ccc1S.[Na+]

nearest known ligand 0.44

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
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR35 Q9HC97 1/20 0.37
MAPK1 P28482 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
EPAS1 Q99814 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
PTPN5 P54829 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
SCHEMBL6515340 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHPGDALOX15
Zinc Ion SCHEMBL6523844 0.96 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL6512422 0.96 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL6523841 0.96 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL6512415 0.96 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL29733584 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL2158306 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL11462831 0.81 TSHR (0.50) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL27803910 0.80 MAPK1 (0.49) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL10907199 0.78 VCAM1 (0.53) ALDH1A1CYP3A4TSHRHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2656882-B1 Golf ball SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3156441-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-25 EP disclosed
EP-3329971-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-18 EP disclosed
EP-2666521-B1 Golf ball SUMITOMO RUBBER IND (JP) 2020-09-02 EP disclosed
EP-2669326-B1 Golf ball SUMITOMO RUBBER IND (JP) 2019-06-12 EP disclosed
US-10286258-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
US-10272296-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-10265585-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-23 US disclosed
EP-3329971-A1 GOLF BALL Dunlop Sports Co., Ltd. (JP) 2018-06-06 EP disclosed
US-20130005508-A1 GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-01-03 US disclosed
US-20130005506-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005507-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005505-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20120172150-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120172149-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-07-05 US disclosed
US-20120142453-A1 GOLF BALL SRI SPORTS LIMITED (JP) 2012-06-07 US disclosed
US-6919393-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2005-07-19 US disclosed
US-20030144425-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed
US-20030144427-A1 Solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed