SCHEMBL3724775

SCHEMBL3724775

Cc1cc(-c2c(C)ccc(CNc3ccc4c(c3)OC[C]4)c2C)cnc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.42
SUZ12 Q15022 4/20 0.42
EZH2 Q15910 4/20 0.42
TRPV3 Q8NET8 1/20 0.36
GAA P10253 5/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
HBB P68871 1/20 0.32
STAT6 P42226 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
LRRK2 Q5S007 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3R1 P27986 1/20 0.31
MTOR P42345 1/20 0.31
ALOX12 P18054 2/20 0.31

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
SCHEMBL10291388 0.79 EED (0.40) EEDSUZ12EZH2TRPV3STAT6
SCHEMBL10009384 0.78 FFAR1 (0.45) EEDSUZ12EZH2
SCHEMBL1707989 0.76 EED (0.38) EEDSUZ12EZH2TRPV3GAA
SCHEMBL1708457 0.72 STAT6 (0.37) EEDSUZ12EZH2TRPV3GAA
SCHEMBL1708456 0.72 FFAR1 (0.45) STAT6
SCHEMBL3722112 0.72 MAPT (0.43) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL1707869 0.71 STAT6 (0.36) EEDSUZ12EZH2TRPV3GAA
SCHEMBL1707868 0.71 FFAR1 (0.38) EEDSUZ12EZH2TRPV3GAA
SCHEMBL13046563 0.71 FFAR1 (0.40) GAASTAT6MTORALOX15MAPK1
SCHEMBL1708222 0.69 STAT6 (0.36) EEDSUZ12EZH2TRPV3GAA

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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed