SCHEMBL10679387

SCHEMBL10679387

OCc1ccc2cc(Cn3ccnc3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.74
▸ CYP11B1 P15538 3/20 0.74
▸ CYP11B2 P19099 3/20 0.74
▸ TBXAS1 P24557 4/20 0.68
▸ CYP2A6 P11509 1/20 0.56
▸ CYP2B6 P20813 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
SCHEMBL15399684 0.92 CYP19A1 (0.87) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL3092795 0.85 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL8865557 0.85 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10661787 0.84 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL10975737 0.84 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
Bromide SCHEMBL27949880 0.84 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2TBXAS1
Bromide SCHEMBL27949879 0.84 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL11499390 0.81 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10531228 0.81 TBXAS1 (1.00) CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL10671782 0.80 TBXAS1 (0.97) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778817-A INHIBIT THROMBOXANE SYNTHETASE HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 — — US disclosed
EP-0194580-A2 Imidazole derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 — — EP disclosed
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