SCHEMBL9681545

SCHEMBL9681545

CCOC(=O)CC(C)(C)Cc1nc2nc(Cl)ccc2n1Cc1ccc(SC)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.55
P2RX3 P56373 1/20 0.35

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
SCHEMBL9683033 0.91 TBXA2R (0.54) TBXA2RP2RX3
SCHEMBL9681387 0.88 TBXA2R (0.71) TBXA2R
SCHEMBL9700200 0.85 TBXA2R (0.56) TBXA2R
SCHEMBL9681839 0.84 TBXA2R (0.78) TBXA2R
SCHEMBL9682478 0.82 TBXA2R (0.78) TBXA2R
SCHEMBL9683101 0.78 TBXA2R (0.56) TBXA2RP2RX3
SCHEMBL9681816 0.77 TBXA2R (0.71) TBXA2R
SCHEMBL9699144 0.76 TBXA2R (0.76) TBXA2R
SCHEMBL9682945 0.75 TBXA2R (0.62) TBXA2R
SCHEMBL9683131 0.74 TBXA2R (0.76) 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 1 patent. 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