SCHEMBL8469750

SCHEMBL8469750

CCc1oc2ccc(C#N)cc2c1-c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.55
▸ CYP11B1 P15538 9/20 0.55
▸ CYP11B2 P19099 7/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP17A1 P05093 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ TBXAS1 P24557 2/20 0.41

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
SCHEMBL10854290 0.81 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2HRH3CYP17A1
SCHEMBL10851664 0.79 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2HRH3CYP17A1
SCHEMBL10859072 0.76 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2HRH3TBXAS1
SCHEMBL771716 0.73 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
Hydrochloric Acid SCHEMBL8307735 0.72 CYP11B1 (0.97) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
Hydrazine SCHEMBL28019549 0.71 CYP11B1 (0.94) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL7380000 0.71 HRH3 (0.66) CYP19A1CYP11B1CYP11B2HRH3FNTA
SCHEMBL8469745 0.71 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1FNTA
SCHEMBL11430101 0.70 GAA (0.42) —
Hydrochloric Acid SCHEMBL9843934 0.69 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2HRH3CYP17A1

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 — — US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 — — US disclosed
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