SCHEMBL9681897

SCHEMBL9681897

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.78
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSPO P30536 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
CNR2 P34972 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 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 0.91 TBXA2R (0.64) TBXA2RTP53SMN1; SMN2LMNAHTT
SCHEMBL9681793 0.91 TBXA2R (0.67) TBXA2RTP53SMN1; SMN2LMNAHTT
SCHEMBL9683131 0.90 TBXA2R (0.76) TBXA2RTSPOKDM4EALDH1A1
SCHEMBL9683508 0.89 TBXA2R (0.62) TBXA2RSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9682437 0.89 TBXA2R (0.76) TBXA2RLMNANPSR1ALOX5APMEN1
SCHEMBL9681443 0.88 TBXA2R (0.61) TBXA2RMAPK1ALOX5AP
SCHEMBL9681365 0.88 TBXA2R (1.00) TBXA2RTP53SMN1; SMN2ALOX5AP
SCHEMBL9683103 0.88 TBXA2R (0.79) TBXA2RALOX5AP
SCHEMBL9682056 0.87 TBXA2R (0.80) TBXA2RALOX5AP
SCHEMBL9682595 0.86 TBXA2R (0.70) 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