SCHEMBL9826233

SCHEMBL9826233

COc1ccc(COCC(=O)Cn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
TBXAS1 P24557 17/20 0.57
PLA2G4A P47712 1/20 0.56

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
SCHEMBL9827059 0.85 CYP19A1 (0.52) CYP19A1PLA2G4A
SCHEMBL11241508 0.84 CYP19A1 (0.66) CYP19A1TBXAS1PLA2G4A
SCHEMBL8803260 0.82 CYP19A1 (0.63) CYP19A1TBXAS1PLA2G4A
SCHEMBL9826293 0.82 TBXAS1 (0.54) CYP19A1TBXAS1
SCHEMBL9826309 0.82 TBXAS1 (0.54) CYP19A1TBXAS1
SCHEMBL9826298 0.82 TBXAS1 (0.54) CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL411003 0.81 CYP19A1 (0.62) CYP19A1TBXAS1PLA2G4A
Bromide SCHEMBL11242765 0.81 CYP19A1 (0.62) CYP19A1TBXAS1PLA2G4A
SCHEMBL8804155 0.80 PLA2G4A (0.61) CYP19A1TBXAS1PLA2G4A
SCHEMBL30023445 0.80 TBXAS1 (0.66) CYP19A1TBXAS1

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
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed