SCHEMBL9681793

SCHEMBL9681793

CCOC(=O)CC(C)(C)Cc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.67
POLB P06746 1/20 0.52
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL9683313 0.94 TBXA2R (0.64) TBXA2RAGTR1AGTR2MEN1KMT2A
SCHEMBL9683131 0.93 TBXA2R (0.76) TBXA2R
SCHEMBL9682437 0.92 TBXA2R (0.76) TBXA2RAGTR1AGTR2MEN1KMT2A
SCHEMBL9683508 0.92 TBXA2R (0.62) TBXA2RLMNASMN1; SMN2
SCHEMBL9681897 0.91 TBXA2R (0.78) TBXA2RMEN1KMT2ALMNATP53
SCHEMBL9681443 0.89 TBXA2R (0.61) TBXA2RAGTR1AGTR2
SCHEMBL9683048 0.88 MAPT (0.53) TBXA2RPOLBMEN1KMT2ALMNA
SCHEMBL9681926 0.86 TBXA2R (0.87) TBXA2RMEN1KMT2A
SCHEMBL17380973 0.84 POLB (0.58) POLBAGTR1AGTR2MEN1KMT2A
SCHEMBL9683004 0.83 TBXA2R (0.64) TBXA2RAGTR1AGTR2LMNATP53

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