SCHEMBL6513141

SCHEMBL6513141

NC(=O)c1ccc(S)c([N+](=O)[O-])c1.[Na+]

nearest known ligand 0.63

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 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.63
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.52
PKM P14618 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 7/20 0.51
CASP6 P55212 1/20 0.51
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
CTPS1 P17812 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL6524754 0.98 PARP1 (0.65) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6513143 0.97 PARP1 (0.63) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6512576 0.97 PARP1 (0.63) PARP1GAAALDH1A1PKML3MBTL1
Zinc Ion SCHEMBL6512579 0.97 PARP1 (0.63) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6513138 0.97 PARP1 (0.63) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6512645 0.86 CASP6 (0.70) LMNACASP6TSHR
SCHEMBL6512637 0.84 CASP6 (0.53) PARP1LMNACASP6TSHR
SCHEMBL6515592 0.84 CASP6 (0.72) LMNACASP6TSHR
SCHEMBL6520357 0.83 CASP6 (0.51) PARP1ALDH1A1LMNACASP6TSHR
SCHEMBL9112651 0.83 MAPT (0.52) ALDH1A1PKML3MBTL1LMNACASP6

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 60 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-20130053180-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-02-28 US disclosed
US-20130005506-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-20130005508-A1 GOLF BALL DUNLOP SPORTS CO. 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