SCHEMBL11062331

SCHEMBL11062331

Cc1nc(C)c(C(=S)[S-])[nH]1.[Na+]

nearest known ligand 0.32

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 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL828058 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1
Potassium Ion SCHEMBL4148709 0.72 TP53 (0.35) L3MBTL1
SCHEMBL3023228 0.68 HSP90AA1 (0.39) ALDH1A1L3MBTL1
SCHEMBL829566 0.64 MAPT (0.33) L3MBTL1
SCHEMBL16944044 0.64 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL6121968 0.63 GSK3B (0.35) ALDH1A1L3MBTL1
SCHEMBL2616850 0.61 ALDH1A1 (0.53) ALDH1A1L3MBTL1
Bromide SCHEMBL6115300 0.61 GSK3B (0.34) ALDH1A1L3MBTL1
SCHEMBL2776999 0.61
SCHEMBL8349405 0.60 IGF1R (0.38) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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