SCHEMBL3714484

SCHEMBL3714484

Cc1ccc(CNc2ccc3c(c2)OC[C]3)c(C)c1-c1ccc(N2CCOCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.38
CNR2 P34972 4/20 0.38
AOC3 Q16853 2/20 0.36
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
ALOX5AP P20292 1/20 0.36
CYP1A2 P05177 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ZAP70 P43403 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3724775 0.88 EED (0.42) EEDSUZ12EZH2MAPTMEN1
SCHEMBL3719582 0.78 WNT3A (0.39) WNT3ACNR2AOC3EEDSUZ12
SCHEMBL10010507 0.78 FFAR1 (0.47) WNT3ACNR2PSEN1PSEN2APH1B
SCHEMBL13047215 0.77 FFAR1 (0.41) WNT3ACNR2EEDSUZ12EZH2
SCHEMBL1708599 0.76 WNT3A (0.38) WNT3ACNR2AOC3EEDSUZ12
SCHEMBL3722112 0.72 MAPT (0.43) CYP1A2MAPTCYP2C19MEN1GAA
SCHEMBL10010676 0.69 FFAR1 (0.43) WNT3AMAPTGAASYK
SCHEMBL10291388 0.68 EED (0.40) EEDSUZ12EZH2
SCHEMBL10009384 0.67 FFAR1 (0.45) EEDSUZ12EZH2
SCHEMBL10292319 0.66 FFAR1 (0.36) AOC3EEDSUZ12EZH2GAA

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