SCHEMBL9683350

SCHEMBL9683350

CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 1.00
ALOX5AP P20292 3/20 0.56
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL9681396 0.89 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9682995 0.88 TBXA2R (0.78) TBXA2RALOX5APAGTR1AGTR2HDAC3
SCHEMBL9682982 0.88 TBXA2R (0.83) TBXA2RALOX5AP
SCHEMBL9683466 0.83 TBXA2R (1.00) TBXA2R
SCHEMBL9683451 0.82 TBXA2R (0.76) TBXA2R
SCHEMBL9681926 0.80 TBXA2R (0.87) TBXA2R
SCHEMBL9700305 0.79 TBXA2R (0.82) TBXA2R
SCHEMBL9681381 0.78 TBXA2R (0.79) TBXA2RALOX5AP
SCHEMBL9681409 0.77 TBXA2R (0.66) TBXA2RALOX5AP
SCHEMBL9682433 0.76 TBXA2R (0.77) 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 3 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-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 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