SCHEMBL8327498

SCHEMBL8327498

CCCCc1cn(Cc2ccc(-c3ccccc3OC(=O)O)cc2)c2ccccc2c1=S

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICMT O60725 4/20 0.45
POLB P06746 1/20 0.45
F2RL3 Q96RI0 1/20 0.45
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41
HDAC10 Q969S8 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CHRM1 P11229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PADI4 Q9UM07 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
SCHEMBL8328934 0.90 CHRM1 (0.47) ICMTPOLBF2RL3CHRM1
SCHEMBL8327497 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8413697 0.83 AGTR1 (0.53) F2RL3AGTR1AGTR2HDAC10HDAC6
SCHEMBL8329353 0.81 ICMT (0.43) ICMTAGTR1AGTR2CHRM1
SCHEMBL8324163 0.81 ICMT (0.45) ICMTPOLBF2RL3AGTR1AGTR2
SCHEMBL8329222 0.79 ICMT (0.42) ICMTAGTR1AGTR2CHRM1
SCHEMBL8327081 0.78 ICMT (0.43) ICMTHDAC6
SCHEMBL8325773 0.77 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8327103 0.77 ESR1 (0.40) ICMTAGTR1AGTR2HDAC6
SCHEMBL237890 0.76 RARB (0.51)

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-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP claimed