SCHEMBL9683048

SCHEMBL9683048

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 3/20 0.53
ALDH1A2 O94788 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALDH2 P05091 2/20 0.53
ALDH3A1 P30838 2/20 0.53
ALDH1A3 P47895 2/20 0.53
POLB P06746 1/20 0.53
TBXA2R P21731 8/20 0.52
GSR P00390 1/20 0.47
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9683086 0.88 TBXA2R (0.68) MAPTLMNATP53ALDH1A2ALDH1A1
SCHEMBL9681793 0.88 TBXA2R (0.67) MAPTLMNATP53POLBTBXA2R
SCHEMBL9681443 0.85 TBXA2R (0.61) TBXA2R
SCHEMBL9683508 0.84 TBXA2R (0.62) LMNAALDH1A1TBXA2RNPSR1
SCHEMBL9683313 0.84 TBXA2R (0.64) MAPTLMNATP53TBXA2RPPARG
SCHEMBL9683131 0.83 TBXA2R (0.76) ALDH1A1TBXA2R
SCHEMBL9682437 0.82 TBXA2R (0.76) LMNATBXA2RMEN1KMT2ANPSR1
SCHEMBL9681897 0.81 TBXA2R (0.78) MAPTLMNATP53ALDH1A1TBXA2R
SCHEMBL9681901 0.78 TBXA2R (0.62) TBXA2R
SCHEMBL9682995 0.78 TBXA2R (0.78) TBXA2RMEN1KMT2A

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