SCHEMBL9302176

SCHEMBL9302176

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
ITK Q08881 1/20 0.41
CCR5 P51681 2/20 0.41
FPR1 P21462 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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 0.89 PTAFR (0.48) PTAFRLMNASMN1; SMN2MAPTKMT2A
SCHEMBL9301867 0.85 SMN1; SMN2 (0.53) PTAFRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL9302162 0.77 SMN1; SMN2 (0.47) PTAFRLMNASMN1; SMN2MAPTKMT2A
SCHEMBL9302033 0.76 HPGD (0.60) PTAFRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9302140 0.76 SMN1; SMN2 (0.47) PTAFRLMNASMN1; SMN2MAPTKMT2A
SCHEMBL9302074 0.75 PTAFR (0.46) PTAFRLMNASMN1; SMN2MAPTKMT2A
SCHEMBL9302215 0.74 PTAFR (0.44) PTAFRLMNASMN1; SMN2MAPTKMT2A
SCHEMBL18924427 0.74 KDM4E (0.56) PTAFRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL9303110 0.71 PTAFR (0.52) PTAFRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL9302224 0.71 PTAFR (0.52) PTAFRLMNASMN1; SMN2MAPTKMT2A

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 4 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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed