SCHEMBL9681443

SCHEMBL9681443

CCOC(=O)CC(C)(C)Cc1nc2ccccc2n1Cc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.61
ALOX5AP P20292 3/20 0.51
VDR P11473 1/20 0.47
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9683117 0.90 TBXA2R (0.64) TBXA2RALOX5AP
SCHEMBL9681901 0.90 TBXA2R (0.62) TBXA2RALOX5AP
SCHEMBL9683313 0.89 TBXA2R (0.64) TBXA2RALOX5APAGTR1AGTR2
SCHEMBL9681793 0.89 TBXA2R (0.67) TBXA2RAGTR1AGTR2
SCHEMBL9681897 0.88 TBXA2R (0.78) TBXA2RALOX5APMAPK1
SCHEMBL9683131 0.88 TBXA2R (0.76) TBXA2R
SCHEMBL9682437 0.87 TBXA2R (0.76) TBXA2RALOX5APAGTR1AGTR2TSHR
SCHEMBL9683508 0.87 TBXA2R (0.62) TBXA2RALOX5AP
SCHEMBL9682433 0.87 TBXA2R (0.77) TBXA2RALOX5AP
SCHEMBL9683048 0.85 MAPT (0.53) TBXA2R

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