SCHEMBL20091572

SCHEMBL20091572

CC1(C)c2cc(Oc3cccc(Oc4cccc(N)c4)c3C#N)c(Oc3cccc(Oc4cccc(N)c4)c3C#N)cc2C2C1c1cc(Oc3cccc(Oc4cccc(N)c4)c3C#N)c(Oc3cccc(Oc4cccc(N)c4)c3C#N)cc1C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
AS3MT Q9HBK9 1/20 0.31
EPAS1 Q99814 1/20 0.31
EZH2 Q15910 1/20 0.31
VEGFA P15692 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CNR1 P21554 1/20 0.30
GPR183 P32249 1/20 0.30
CNR2 P34972 1/20 0.30
KMT2A Q03164 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL17085525 0.81 MAOB (0.52) MAOBALDH1A1GAACYP3A4POLB
SCHEMBL20091582 0.81 MAPT (0.33) ALDH1A1CYP3A4MAPTEZH2MEN1
SCHEMBL20091521 0.80 MEN1 (0.32) EPAS1MEN1CNR1GPR183CNR2
SCHEMBL20091525 0.80 TTR (0.33) ALDH1A1GAAPOLBMAPTEZH2
SCHEMBL20091583 0.80 MAPT (0.31) GAAPOLBMAPT
SCHEMBL201559 0.80 MAOB (0.53) MAOBALDH1A1GAACYP3A4POLB
SCHEMBL29492474 0.80 MAOB (0.53) MAOBALDH1A1GAACYP3A4POLB
SCHEMBL17430396 0.80 ALDH1A1 (0.36) MAOBALDH1A1GAACYP3A4POLB
SCHEMBL20091524 0.79 EZH2 (0.38) ALDH1A1GAAPOLBMAPTEZH2
SCHEMBL20091581 0.79 EZH2 (0.31) MAPTEZH2

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
US-20180114698-A2 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2018-04-26 US disclosed