SCHEMBL9310593

SCHEMBL9310593

CCCCc1nc(C)n2nc(S(=O)(=O)N(C)C)nc2c1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36

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
SCHEMBL9311123 0.85
SCHEMBL9308612 0.85
SCHEMBL9308854 0.80 ACHE (0.42)
SCHEMBL9309856 0.80
SCHEMBL9308761 0.79 CYP19A1 (0.42) CYP19A1
SCHEMBL9308971 0.79 CYP19A1 (0.39) CYP19A1
SCHEMBL27771433 0.78 CYP19A1 (0.41) CYP19A1
SCHEMBL9311040 0.78 CYP19A1 (0.39) CYP19A1
SCHEMBL27771431 0.77 CYP19A1 (0.39) CYP19A1
SCHEMBL27771379 0.76 CYP19A1 (0.40) 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-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed