SCHEMBL16483373

SCHEMBL16483373

c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccncc7)c6)c6ccc3c4c56)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.54
CYP11B1 P15538 9/20 0.48
CYP11B2 P19099 9/20 0.48
CYP19A1 P11511 6/20 0.48
CYP17A1 P05093 3/20 0.48
PGR P06401 1/20 0.47
FGFR1 P11362 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B2 P37059 1/20 0.42
ERN1 O75460 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42

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
SCHEMBL16483064 1.00 PIK3CA (0.54) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483693 0.97 PIK3CA (0.51) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483338 0.97 PIK3CA (0.53) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483679 0.96 PIK3CA (0.52) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483085 0.96 CYP11B1 (0.51) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16484808 0.95 PIK3CA (0.48) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16484791 0.95 PIK3CA (0.48) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483691 0.95 PIK3CA (0.48) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483631 0.94 PIK3CA (0.53) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16483398 0.94 CYP11B1 (0.50) PIK3CACYP11B1CYP11B2CYP19A1CYP17A1

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