SCHEMBL9302641

SCHEMBL9302641

CN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
CNR2 P34972 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CASP3 P42574 2/20 0.44
HTR2C P28335 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
CXCR4 P61073 1/20 0.41

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
SCHEMBL9302642 0.87 ALDH1A1 (0.54) POLBRXFP1ALDH1A1HTTLMNA
SCHEMBL9302598 0.86 NR1H3 (0.50) POLBRXFP1ALDH1A1HTTLMNA
SCHEMBL9302737 0.84 CXCR4 (0.46) POLBRXFP1ALDH1A1HTTLMNA
SCHEMBL9302302 0.84 CXCR4 (0.48) ALDH1A1HTTLMNACNR2MAOA
SCHEMBL9303027 0.80 CXCR4 (0.45) POLBRXFP1ALDH1A1HTTLMNA
SCHEMBL14470052 0.80 POLB (0.67) POLBRXFP1PDE4DALDH1A1HTT
SCHEMBL9672391 0.80 HTT (0.48) POLBRXFP1PDE4DALDH1A1HTT
SCHEMBL9302028 0.73 CA12 (0.52) POLBALDH1A1HTTLMNASMN1; SMN2
SCHEMBL9303789 0.73 ESR1 (0.56) ALDH1A1HTTLMNACNR2MAPT
SCHEMBL9303870 0.72 CA2 (0.47) SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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