SCHEMBL6573450

SCHEMBL6573450

N#Cc1ccc(C(c2ccc(F)cc2)C(O)Cc2nc[nH]n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.41
EPHX2 P34913 1/20 0.37
VNN1 O95497 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
NSD2 O96028 1/20 0.34
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
SCN9A Q15858 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
SCHEMBL6531243 0.83 CYP19A1 (0.42) CYP19A1EPHX2VNN1NSD2MAOA
SCHEMBL9192710 0.83 CYP19A1 (0.45) CYP19A1EPHX2VNN1PTGDR2EGFR
SCHEMBL8410915 0.77 CYP19A1 (0.47) CYP19A1EPHX2VNN1MAOAMAOB
SCHEMBL28206880 0.75 AOC3 (0.40) KDM4E
SCHEMBL9193083 0.75 EPHX2 (0.45) CYP19A1EPHX2VNN1PTGDR2NSD2
SCHEMBL9196854 0.74 CYP19A1 (0.40) CYP19A1EPHX2VNN1PTGDR2MAOA
SCHEMBL19329955 0.74 EPHX2 (0.44) CYP19A1EPHX2PTGDR2NSD2MAOA
SCHEMBL20838414 0.74 EPHX2 (0.44) CYP19A1EPHX2PTGDR2NSD2MAOA
SCHEMBL8408994 0.73 CYP19A1 (0.45) CYP19A1EPHX2VNN1PTGDR2
SCHEMBL8408717 0.72 CYP19A1 (0.43) CYP19A1EPHX2VNN1NSD2MAOA

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
EP-1399158-A1 AROMATASE INHIBITORS AS NOVEL VETERINARY DRUGS Vetcare Oy (FI) 2004-03-24 EP claimed
WO-2002087571-A1 AROMATASE INHIBITORS AS NOVEL VETERINARY DRUGS VETCARE OY (FI) 2002-11-07 WO claimed