SCHEMBL8104836

SCHEMBL8104836

N#Cc1ccc(C(=O)C(CCc2ccc(F)cc2)n2cncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.66
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2C19 P33261 1/20 0.44
NSD2 O96028 1/20 0.42
VNN1 O95497 1/20 0.41

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
SCHEMBL8104838 0.80 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8104979 0.78 CYP19A1 (0.72) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL6204558 0.78 CYP19A1 (0.53) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8103019 0.77 CYP19A1 (0.65) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8102936 0.76 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL6222574 0.75 CYP19A1 (0.49) CYP19A1CYP3A4
SCHEMBL6204190 0.75 MAPT (0.57) CYP19A1
SCHEMBL6319766 0.73 MAPT (0.44) CYP19A1
SCHEMBL6248721 0.72 MAPT (0.41) CYP19A1CYP2C19
SCHEMBL6320401 0.71 MAPT (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674626-B1 SELECTIVE AROMATASE INHIBITING COMPOUNDS RISTO ARVO SAKARI LAMMINTAUSTA (FI) 2000-07-19 EP claimed
EP-0674626-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS ORION-YHTYMÄ OY (FI) 1995-10-04 EP claimed
WO-1994013645-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS Orion-Yhtymä Oy (FI) 1994-06-23 WO claimed