SCHEMBL829583

SCHEMBL829583

Cc1nc(-c2ccccc2)[nH]c1C(=S)[S-].[Na+]

nearest known ligand 0.45

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
PIN1 Q13526 5/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 4/20 0.41
NPY5R Q15761 1/20 0.41
HPGDS O60760 1/20 0.41
POLB P06746 3/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL829287 0.82 PIN1 (0.46) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL4607219 0.73 ERCC1 (0.56) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL547135 0.72 PIN1 (0.56) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL11062331 0.71 ALDH1A1 (0.32) L3MBTL1ALDH1A1
SCHEMBL647088 0.71 PIN1 (0.59) PIN1MAPK1KDM4EMAPTGAA
SCHEMBL15442034 0.71 HSD17B10 (0.59) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL11516210 0.70 MAPK13 (0.53) PIN1KDM4EMAPTGAAPOLB
SCHEMBL33678 0.69 KDM4E (0.50) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL13943652 0.68 MAPT (0.49) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL8306285 0.68 MAPT (0.51) PIN1CYP1A2KDM4EMAPTGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728898-B1 Electrolytes for the deposition of gold alloys ROHM & HAAS ELECT MAT (US) 2017-02-22 EP disclosed
US-8142637-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-27 US disclosed
US-20090104463-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC 2009-04-23 US disclosed
US-7465385-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-12-16 US disclosed
US-20060283714-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-12-21 US disclosed
EP-1728898-A2 Electrolytes for the deposition of gold alloys Rohm and Haas Electronic Materials LLC (US) 2006-12-06 EP disclosed
US-4469622-A Method for preventing rusting in silver by using novel imidazole-4(5)-dithiocarboxylic acids in organic solvent SHIKOKU CHEMICALS CORPORATION (JP) 1984-09-04 US disclosed
US-4394511-A Imidazole 4(5)-dithiocarboxylic acids or salts SHIKOKU CHEMICALS CORPORATION (JP) 1983-07-19 US disclosed