SCHEMBL9301867

SCHEMBL9301867

CC(c1ccc(C(=O)N(C)C2CCCCC2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PTAFR P25105 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ITK Q08881 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 1/20 0.44
MLKL Q8NB16 2/20 0.44
FPR1 P21462 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9303194 0.88 PTAFR (0.48) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302176 0.85 PTAFR (0.45) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302140 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302215 0.82 PTAFR (0.44) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302162 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL18924427 0.80 KDM4E (0.56) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302033 0.80 HPGD (0.60) SMN1; SMN2PTAFRKMT2AMEN1ALDH1A1
SCHEMBL9302074 0.79 PTAFR (0.46) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9302224 0.75 PTAFR (0.52) SMN1; SMN2LMNAPTAFRKMT2AMEN1
SCHEMBL9303110 0.75 PTAFR (0.52) SMN1; SMN2LMNAPTAFRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed