SCHEMBL9196854

SCHEMBL9196854

N#Cc1ccc(C(C=CCc2nc[nH]n2)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.34
EGFR P00533 1/20 0.33
VNN1 O95497 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL9191168 0.80 CYP19A1 (0.42) CYP19A1MAOAMAOBEPHX2EGFR
SCHEMBL6573450 0.74 CYP19A1 (0.41) CYP19A1MAOAMAOBEPHX2EGFR
SCHEMBL9192710 0.72 CYP19A1 (0.45) CYP19A1EPHX2EGFRVNN1PTGDR2
SCHEMBL9192319 0.72 CYP19A1 (0.45) CYP19A1EPHX2EGFRPTGDR2
SCHEMBL9193083 0.71 EPHX2 (0.45) CYP19A1EPHX2VNN1KDM4EPTGDR2
SCHEMBL8410909 0.68 CYP19A1 (0.54) CYP19A1EPHX2
SCHEMBL8408994 0.68 CYP19A1 (0.45) CYP19A1EPHX2VNN1PTGDR2
SCHEMBL9196242 0.67 CYP19A1 (0.36) CYP19A1MAOAMAOBEPHX2VNN1
SCHEMBL6526163 0.66 CYP19A1 (0.41) CYP19A1MAOBKDM4E
SCHEMBL6531243 0.66 CYP19A1 (0.42) CYP19A1MAOAMAOBEPHX2VNN1

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
EP-0674626-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS ORION-YHTYMÄ OY (FI) 1995-10-04 EP claimed