SCHEMBL9681413

SCHEMBL9681413

CCOC(=O)C(S)CCc1nc2nc(Cl)ccc2n1Cc1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.41
TRAP1 Q12931 4/20 0.39
HSP90B1 P14625 2/20 0.39
ALOX5AP P20292 7/20 0.39
MAPT P10636 2/20 0.38
HSP90AA1 P07900 2/20 0.37
AKR1B1 P15121 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
AKR1A1 P14550 1/20 0.36
TP53 P04637 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL9683452 0.89 TBXA2R (0.43) TBXA2RTRAP1HSP90B1ALOX5APHSP90AA1
SCHEMBL9701300 0.86 TRAP1 (0.41) TBXA2RTRAP1HSP90B1ALOX5APMAPT
SCHEMBL9701528 0.75 TRAP1 (0.43) TBXA2RTRAP1HSP90B1ALOX5APHSP90AA1
SCHEMBL9681415 0.75 PTGDR2 (0.43) TBXA2RTRAP1HSP90B1ALOX5APMAPT
SCHEMBL9581584 0.69 TBXA2R (0.64) TBXA2RAGTR1AGTR2
SCHEMBL9682037 0.69 RXFP1 (0.44) TBXA2RMAPTAGTR1AGTR2TP53
SCHEMBL9699186 0.69 TP53 (0.54) TBXA2RALOX5APMAPTAGTR1AGTR2
SCHEMBL9683456 0.68 CTSG (0.42) TBXA2RTRAP1HSP90B1HSP90AA1AKR1B1
SCHEMBL7671692 0.67 AGTR1 (0.58) TBXA2RALOX5APMAPTAGTR1AGTR2
SCHEMBL9681409 0.67 TBXA2R (0.66) TBXA2RALOX5AP

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed