SCHEMBL17033452

SCHEMBL17033452

c1cc(-c2ccncc2)cc(-n2c3ccccc3c3ccc4c(cc5c6ccccc6c6ccccc6n54)c32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
DUSP3 P51452 1/20 0.32
IMPDH2 P12268 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK14 Q16539 2/20 0.32
DHFR P00374 1/20 0.32
SLC6A2 P23975 1/20 0.31
PRKCI P41743 1/20 0.31
KIF11 P52732 1/20 0.31
CHEK1 O14757 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
SCHEMBL17033426 0.91 ATM (0.41) KDM4EATML3MBTL1MAPTMEN1
SCHEMBL17033419 0.88 MAPT (0.40) GRM5L3MBTL1MAPTMEN1MAPK14
SCHEMBL17033448 0.86 KDM4E (0.35) KDM4EATML3MBTL1MAPTMEN1
SCHEMBL17033599 0.86 HSD17B1 (0.36) GRM5KDM4EATML3MBTL1MAPT
SCHEMBL17033805 0.86 KDM4E (0.36) GRM5KDM4EATML3MBTL1MAPT
SCHEMBL16067192 0.84 DHFR (0.34) GRM5MAPTHSD17B1HSD17B2MEN1
SCHEMBL17033459 0.84 KDM4E (0.35) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17033417 0.84 HTR1A (0.42) GRM5MAPK14DHFR
SCHEMBL15802197 0.84 DYRK1A (0.36) GRM5KDM4EATML3MBTL1MAPT
SCHEMBL16067125 0.84 HSD17B1 (0.34) GRM5KDM4EATML3MBTL1MAPT

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed