SCHEMBL9302598

SCHEMBL9302598

CN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.50
CXCR4 P61073 2/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
ADRB2 P07550 1/20 0.45
HTR2C P28335 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CASP3 P42574 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 0.96 ALDH1A1 (0.54) NR1H3CXCR4ALDH1A1LMNAKMT2A
SCHEMBL9302302 0.90 CXCR4 (0.48) NR1H3CXCR4ALDH1A1LMNAKMT2A
SCHEMBL9302737 0.90 CXCR4 (0.46) NR1H3CXCR4ALDH1A1LMNAKMT2A
SCHEMBL9302641 0.86 POLB (0.50) CXCR4ALDH1A1LMNAMAPTHTT
SCHEMBL9303027 0.84 CXCR4 (0.45) CXCR4ALDH1A1LMNAKMT2AMEN1
SCHEMBL9302028 0.82 CA12 (0.52) NR1H3ALDH1A1LMNAKMT2AMEN1
SCHEMBL9303789 0.81 ESR1 (0.56) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL9302843 0.79 CNR2 (0.62) KMT2AMEN1HTR2CPOLB
SCHEMBL407669 0.78 ALDH1A1 (0.73) NR1H3CXCR4ALDH1A1LMNAKMT2A
SCHEMBL9302981 0.75 NR1H3 (0.61) NR1H3CXCR4ALDH1A1LMNAKMT2A

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