SCHEMBL9681834

SCHEMBL9681834

CC(C)(CC(N)=O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.82
DRD2 P14416 2/20 0.55
NOD1 Q9Y239 2/20 0.53
MAPT P10636 1/20 0.53
TNF P01375 1/20 0.52
CXCL8 P10145 1/20 0.52
SOS1 Q07889 1/20 0.52
NOD2 Q9HC29 1/20 0.52
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL9681794 0.90 TBXA2R (1.00) TBXA2R
SCHEMBL9683131 0.85 TBXA2R (0.76) TBXA2RDRD2NOD2GALR3NR2F2
SCHEMBL9681926 0.82 TBXA2R (0.87) TBXA2R
SCHEMBL9681823 0.81 TBXA2R (0.83) TBXA2RMAPT
SCHEMBL9683093 0.81 TBXA2R (0.83) TBXA2R
SCHEMBL9683504 0.81 TBXA2R (0.79) TBXA2RDRD2MAPTNOD2
SCHEMBL9700305 0.80 TBXA2R (0.82) TBXA2RRAB9A
SCHEMBL9683466 0.80 TBXA2R (1.00) TBXA2RRAB9A
SCHEMBL9681366 0.80 TBXA2R (0.67) TBXA2RDRD2NOD1MAPTTNF
SCHEMBL9683248 0.79 TBXA2R (1.00) TBXA2RDRD2NOD1MAPTNOD2

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