SCHEMBL9303789

SCHEMBL9303789

CC1(Cc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)Nc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
CNR2 P34972 7/20 0.52
CNR1 P21554 5/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
NR3C1 P04150 4/20 0.49
PGR P06401 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HIF1A Q16665 2/20 0.48
EPAS1 Q99814 2/20 0.48
NR1I2 O75469 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47

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 0.85 ALDH1A1 (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9302028 0.84 CA12 (0.52) HTTPGRALDH1A1LMNANR1I2
SCHEMBL9302598 0.81 NR1H3 (0.50) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9302843 0.81 CNR2 (0.62) CNR2GAAMEN1KMT2AL3MBTL1
SCHEMBL9302737 0.77 CXCR4 (0.46) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9302302 0.77 CXCR4 (0.48) CNR2CNR1HTTALDH1A1LMNA
SCHEMBL5330652 0.77 ESR1 (0.78) ESR1CNR2CNR1GAAHTT
SCHEMBL9303870 0.74 CA2 (0.47) MAPT
SCHEMBL9303027 0.74 CXCR4 (0.45) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9302515 0.73 ALDH1A1 (0.44) ESR1CNR2CNR1GAAHTT

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