SCHEMBL16613488

SCHEMBL16613488

c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5sccc45)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCP P55072 1/20 0.37
POLB P06746 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DUSP3 P51452 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GGPS1 O95749 1/20 0.33
ADORA2A P29274 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16613592 0.92 KDM4E (0.36) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613721 0.91 KDM4E (0.33) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613529 0.87 VCP (0.33) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613530 0.85 VCP (0.37) KDM4EVCPMEN1KMT2ADUSP3
SCHEMBL16613531 0.84 ADORA2A (0.39) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613532 0.83 VCP (0.36) VCPDUSP3ALDH1A1HPGDCYP1A2
SCHEMBL16613564 0.83 KDM4E (0.36) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613729 0.82 ALDH1A1 (0.39) KDM4EATML3MBTL1POLBMEN1
SCHEMBL16613717 0.82 KDM4E (0.37) KDM4EATML3MBTL1VCPPOLB
SCHEMBL16613565 0.81 KDM4E (0.35) KDM4EATML3MBTL1VCPPOLB

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed