SCHEMBL9302302

SCHEMBL9302302

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.48
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
NAMPT P43490 1/20 0.45
TSHR P16473 1/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
ADRB2 P07550 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CXCR3 P49682 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
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 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
SCHEMBL9302642 0.91 ALDH1A1 (0.54) CXCR4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9302598 0.90 NR1H3 (0.50) CXCR4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9303027 0.89 CXCR4 (0.45) CXCR4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9302737 0.88 CXCR4 (0.46) CXCR4ALDH1A1MEN1KMT2ALMNA
SCHEMBL9302641 0.84 POLB (0.50) CXCR4ALDH1A1LMNACNR2MAPT
SCHEMBL9302028 0.78 CA12 (0.52) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL9304262 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL9303789 0.77 ESR1 (0.56) ALDH1A1MEN1KMT2ALMNACNR1
SCHEMBL9302843 0.75 CNR2 (0.62) MEN1KMT2ATSHRCNR2TAS2R14
SCHEMBL9302837 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ALMNANAMPT

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 3 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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed