SCHEMBL17952684

SCHEMBL17952684

N#Cc1cccc(C#N)c1-c1cccc2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARG P37231 2/20 0.35
NR3C1 P04150 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MCL1 Q07820 1/20 0.34
PDK2 Q15119 1/20 0.33
IMPDH2 P12268 1/20 0.33
TRPA1 O75762 1/20 0.32
HDAC4 P56524 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.31
XDH P47989 1/20 0.31
CYP11B1 P15538 1/20 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
SCHEMBL17954460 0.91 KDM4E (0.41) KDM4EATML3MBTL1CA1CA2
SCHEMBL28562564 0.86 ATM (0.41) KDM4EATML3MBTL1CA1CA2
SCHEMBL22737009 0.85 KDM4E (0.43) KDM4EATML3MBTL1CA1CA2
SCHEMBL17690416 0.85 L3MBTL1 (0.52) KDM4EATML3MBTL1CA1CA2
SCHEMBL17955170 0.84 PPARG (0.36) KDM4EATML3MBTL1CA1CA2
SCHEMBL25972769 0.84 L3MBTL1 (0.50) KDM4EATML3MBTL1CA1CA2
SCHEMBL25972732 0.84 L3MBTL1 (0.50) KDM4EATML3MBTL1CA1CA2
SCHEMBL22737463 0.84 KDM4E (0.39) KDM4EATML3MBTL1ESR2PDE10A
SCHEMBL16484500 0.82 ESR2 (0.53) KDM4EATML3MBTL1ESR2PPARG
SCHEMBL17955105 0.82 KDM4E (0.48) KDM4EATML3MBTL1CA1CA2

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-2016116508-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed