SCHEMBL9156641

SCHEMBL9156641

N#Cc1ccc(Cn2ccnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 1.00
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53

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
SCHEMBL13201552 0.85 CYP19A1 (0.80) CYP19A1
SCHEMBL27453502 0.81 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2
SCHEMBL29820095 0.78 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2
SCHEMBL4564456 0.78 CYP19A1 (0.69) CYP19A1
SCHEMBL3153071 0.77 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2
SCHEMBL16129814 0.77 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2
SCHEMBL10194241 0.77 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2
SCHEMBL6881194 0.77 CYP19A1 (0.67) CYP19A1
SCHEMBL29820189 0.77 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2
SCHEMBL27605964 0.77 CYP19A1 (0.67) CYP19A1

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-5457209-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed