SCHEMBL9683313

SCHEMBL9683313

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.64
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PPARG P37231 1/20 0.49
ALOX5AP P20292 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
SCHEMBL9681793 0.94 TBXA2R (0.67) TBXA2RLMNASMN1; SMN2MEN1HTT
SCHEMBL9683131 0.93 TBXA2R (0.76) TBXA2R
SCHEMBL9683508 0.92 TBXA2R (0.62) TBXA2RLMNASMN1; SMN2NPSR1ALOX5AP
SCHEMBL9682437 0.92 TBXA2R (0.76) TBXA2RLMNAMEN1KMT2AAGTR1
SCHEMBL9681897 0.91 TBXA2R (0.78) TBXA2RLMNASMN1; SMN2MEN1HTT
SCHEMBL9681443 0.89 TBXA2R (0.61) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9681823 0.87 TBXA2R (0.83) TBXA2RLMNASMN1; SMN2MEN1HTT
SCHEMBL9683048 0.84 MAPT (0.53) TBXA2RLMNAMEN1KMT2AMAPT
SCHEMBL9683004 0.83 TBXA2R (0.64) TBXA2RLMNAMAPTTP53AGTR1
SCHEMBL9699144 0.82 TBXA2R (0.76) 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