SCHEMBL7944727

SCHEMBL7944727

CCCCCCCCCCCCCCCCCCCCCCOc1nc2cscc2nc1OCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
TLR8 Q9NR97 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
NR5A1 Q13285 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CHRM1 P11229 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL2745217 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745132 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745113 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL1690054 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL7778785 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745417 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745072 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745052 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2744659 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8
SCHEMBL2745138 1.00 CDK1 (0.41) CDK1CCNB1FAAHMGLLTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242561-B1 USED AS SEMICONDUCTORS; ELECTROCHROMIC AND ANTISTATIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
EP-0885251-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032914-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed