SCHEMBL9682437

SCHEMBL9682437

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

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.76
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
ALOX5AP P20292 2/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47

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 0.92 TBXA2R (0.64) TBXA2RMEN1LMNAKMT2ANPSR1
SCHEMBL9681793 0.92 TBXA2R (0.67) TBXA2RMEN1LMNAKMT2AAGTR1
SCHEMBL9683131 0.91 TBXA2R (0.76) TBXA2RRAB9AGALR3NR2F2
SCHEMBL9683508 0.90 TBXA2R (0.62) TBXA2RLMNARAB9ANPSR1ALOX5AP
SCHEMBL9681897 0.89 TBXA2R (0.78) TBXA2RMEN1LMNAKMT2ANPSR1
SCHEMBL9683267 0.87 TBXA2R (0.77) TBXA2RALOX5AP
SCHEMBL9681443 0.87 TBXA2R (0.61) TBXA2RTSHRALOX5APAGTR1AGTR2
SCHEMBL9681962 0.87 TBXA2R (0.78) TBXA2RALOX5APAGTR1AGTR2
SCHEMBL9683466 0.86 TBXA2R (1.00) TBXA2RMEN1LMNATSHRRAB9A
SCHEMBL9681886 0.85 TBXA2R (0.68) 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