SCHEMBL8469745

SCHEMBL8469745

CCc1oc2ccc(C#N)c(Cn3ccnc3)c2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 9/20 0.47
▸ CYP11B1 P15538 5/20 0.45
▸ CYP11B2 P19099 5/20 0.45
▸ CYP17A1 P05093 2/20 0.45
▸ FNTA P49354 8/20 0.44
▸ FNTB P49356 8/20 0.44
▸ PGGT1B P53609 8/20 0.44

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
SCHEMBL8469750 0.71 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2CYP17A1FNTA
SCHEMBL7841243 0.70 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2CYP17A1FNTA
SCHEMBL8473132 0.67 SMN1; SMN2 (0.42) —
SCHEMBL8471559 0.67 SIRT2 (0.33) —
SCHEMBL8469786 0.67 HDAC3 (0.42) —
SCHEMBL10854290 0.67 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL8475317 0.67 ALDH1A1 (0.46) —
SCHEMBL29651625 0.66 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL8506 0.66 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL88059 0.65 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1FNTA

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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