SCHEMBL11266079

SCHEMBL11266079

C=CC(Br)(C#N)c1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL11261869 0.71 CYP19A1 (0.41) CYP19A1HSP90AA1
SCHEMBL5720338 0.68 CYP19A1 (0.44) CYP19A1HSP90AA1
SCHEMBL28526063 0.68 HSP90AA1 (0.35) CYP19A1HSP90AA1
SCHEMBL11263713 0.66 CYP19A1 (0.37) CYP19A1
SCHEMBL8938124 0.66 CYP19A1 (0.44) CYP19A1
SCHEMBL11262422 0.65 MAPT (0.35) CYP19A1
SCHEMBL11266266 0.65 KDM4E (0.46) CYP19A1
SCHEMBL11257745 0.64 ALDH1A1 (0.40) CYP19A1
SCHEMBL11249250 0.63 KDM4E (0.39) CYP19A1
SCHEMBL4630149 0.63 CYP19A1 (0.40) CYP19A1HSP90AA1

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-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 US disclosed