SCHEMBL9683466

SCHEMBL9683466

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 1.00
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL9681926 0.92 TBXA2R (0.87) TBXA2RMEN1KMT2A
SCHEMBL9681823 0.90 TBXA2R (0.83) TBXA2RMEN1LMNAKMT2A
SCHEMBL9681794 0.90 TBXA2R (1.00) TBXA2R
SCHEMBL9683093 0.90 TBXA2R (0.83) TBXA2R
SCHEMBL9700305 0.89 TBXA2R (0.82) TBXA2RRAB9A
SCHEMBL9681365 0.87 TBXA2R (1.00) TBXA2R
SCHEMBL9682437 0.86 TBXA2R (0.76) TBXA2RMEN1LMNATSHRRAB9A
SCHEMBL9682959 0.86 TBXA2R (1.00) TBXA2R
SCHEMBL9682433 0.86 TBXA2R (0.77) TBXA2R
SCHEMBL9683552 0.85 TBXA2R (1.00) 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