SCHEMBL9700305

SCHEMBL9700305

CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.82
RAB9A P51151 1/20 0.61

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
SCHEMBL9681926 0.92 TBXA2R (0.87) TBXA2R
SCHEMBL9681794 0.90 TBXA2R (1.00) TBXA2R
SCHEMBL9683093 0.90 TBXA2R (0.83) TBXA2R
SCHEMBL9681823 0.90 TBXA2R (0.83) TBXA2R
SCHEMBL9683466 0.89 TBXA2R (1.00) TBXA2RRAB9A
SCHEMBL9681365 0.87 TBXA2R (1.00) TBXA2R
SCHEMBL9683508 0.86 TBXA2R (0.62) TBXA2RRAB9A
SCHEMBL9682433 0.86 TBXA2R (0.77) TBXA2R
SCHEMBL9683552 0.85 TBXA2R (1.00) TBXA2R
SCHEMBL9681429 0.84 TBXA2R (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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