SCHEMBL16483095

SCHEMBL16483095

c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccc3c4c56)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.49
CYP11B2 P19099 10/20 0.49
CYP19A1 P11511 6/20 0.49
CYP17A1 P05093 4/20 0.49
PIK3CA P42336 1/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
PGR P06401 1/20 0.45
FGFR1 P11362 1/20 0.43
ERN1 O75460 1/20 0.43

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
SCHEMBL16483624 0.97 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483733 0.96 PIK3CA (0.52) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483749 0.96 PIK3CA (0.52) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483105 0.96 PIK3CA (0.52) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483111 0.96 PIK3CA (0.52) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483719 0.94 CYP2A6 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483110 0.94 CYP2A6 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483631 0.94 PIK3CA (0.53) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483668 0.94 PIK3CA (0.50) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL16483784 0.94 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4

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
WO-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 WO disclosed