SCHEMBL9683086

SCHEMBL9683086

CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.68
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
ALDH1A2 O94788 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ALDH2 P05091 1/20 0.57
ALDH3A1 P30838 1/20 0.57
ALDH1A3 P47895 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL9683048 0.88 MAPT (0.53) TBXA2RLMNATP53ALDH1A2ALDH1A1
SCHEMBL9681926 0.87 TBXA2R (0.87) TBXA2R
SCHEMBL9682433 0.83 TBXA2R (0.77) TBXA2R
SCHEMBL9700305 0.82 TBXA2R (0.82) TBXA2R
SCHEMBL9683093 0.81 TBXA2R (0.83) TBXA2R
SCHEMBL9681823 0.81 TBXA2R (0.83) TBXA2RLMNATP53MAPT
SCHEMBL9681794 0.81 TBXA2R (1.00) TBXA2R
SCHEMBL9683466 0.80 TBXA2R (1.00) TBXA2RLMNA
SCHEMBL9681365 0.78 TBXA2R (1.00) TBXA2RTP53
SCHEMBL9683552 0.77 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 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