SCHEMBL9683452

SCHEMBL9683452

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.43
TRAP1 Q12931 5/20 0.41
HSP90B1 P14625 3/20 0.41
AKR1B1 P15121 7/20 0.40
AKR1A1 P14550 1/20 0.40
HSP90AA1 P07900 2/20 0.39
ALOX5AP P20292 3/20 0.38
HSP90AB1 P08238 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9681413 0.89 TBXA2R (0.41) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL9701528 0.85 TRAP1 (0.43) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL9701300 0.75 TRAP1 (0.41) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL9683456 0.72 CTSG (0.42) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL9699166 0.67 TBXA2R (0.72) TBXA2RAGTR1AGTR2
SCHEMBL9681415 0.67 PTGDR2 (0.43) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL9699122 0.66 TP53 (0.58) TBXA2RALOX5APAGTR1AGTR2MEN1
SCHEMBL9700055 0.64 TRAP1 (0.48) TBXA2RTRAP1HSP90B1AKR1B1AKR1A1
SCHEMBL8878809 0.64 AKR1B1 (0.48) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9682982 0.63 TBXA2R (0.83) TBXA2RAKR1B1AKR1A1ALOX5AP

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