SCHEMBL11200754

SCHEMBL11200754

C=CCN1C(=O)CSC1=NN=C1SC(COP(=O)([O-])[O-])C(=O)N1C.[Na+].[Na+]

nearest known ligand 0.39

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 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.31

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
SCHEMBL10890866 0.92 LMNA (0.39) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL10890872 0.90 LMNA (0.40) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL11202912 0.84 ALDH1A1 (0.42) ALDH1A1LMNARECQLMAPTPOLB
SCHEMBL9493016 0.77 LMNA (0.50) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL9493012 0.77 LMNA (0.50) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL10881231 0.77 LMNA (0.39) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL9493024 0.75 LMNA (0.40) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL10899040 0.75 ALDH1A1 (0.41) ALDH1A1LMNARECQLMAPTPOLB
SCHEMBL9494278 0.74 LMNA (0.52) ALDH1A1LMNARECQLMAPTTSHR
SCHEMBL9494274 0.74 LMNA (0.52) ALDH1A1LMNARECQLMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085275-A1 Substituted thiazolidinylic esters of mineral acids CIBA-GEIGY AG (CH) 1983-08-10 — — EP disclosed
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