SCHEMBL9302737

SCHEMBL9302737

CN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
ADRB2 P07550 1/20 0.42
NR1H3 Q13133 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CASP3 P42574 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
HTR2C P28335 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 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
SCHEMBL9302642 0.91 ALDH1A1 (0.54) CXCR4ALDH1A1LMNAHTTMEN1
SCHEMBL9302598 0.90 NR1H3 (0.50) CXCR4ALDH1A1LMNAHTTMEN1
SCHEMBL9302302 0.88 CXCR4 (0.48) CXCR4ALDH1A1LMNAHTTMEN1
SCHEMBL9302641 0.84 POLB (0.50) CXCR4ALDH1A1LMNAHTTMAPT
SCHEMBL9303027 0.82 CXCR4 (0.45) CXCR4ALDH1A1LMNAHTTMEN1
SCHEMBL9302028 0.78 CA12 (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL9303789 0.77 ESR1 (0.56) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL9302843 0.75 CNR2 (0.62) MEN1KMT2AHTR2CTSHRL3MBTL1
SCHEMBL9302837 0.74 ALDH1A1 (0.59) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL9303870 0.74 CA2 (0.47) MAPT

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