SCHEMBL16613463

SCHEMBL16613463

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)c5ccoc5n4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 6/20 0.35
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPP1CA P62136 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGER4 P35408 1/20 0.32
METAP1 P53582 2/20 0.31
DHODH Q02127 1/20 0.30
TGFBR1 P36897 1/20 0.30
MAP3K20 Q9NYL2 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
SCHEMBL16613491 0.88 KDM4E (0.40) NPY5RKDM4EATML3MBTL1MAPT
SCHEMBL16613462 0.87 KDM4E (0.39) NPY5RKDM4EATML3MBTL1MAPT
SCHEMBL16613331 0.86 NPY5R (0.40) NPY5RKDM4EATML3MBTL1MCL1
SCHEMBL16613536 0.85 KDM4E (0.38) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL16613579 0.84 KDM4E (0.37) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL16613492 0.83 KDM4E (0.36) KDM4EATML3MBTL1MAPTCYP2C9
SCHEMBL16613580 0.83 KDM4E (0.36) KDM4EATML3MBTL1PTGER4
SCHEMBL16613493 0.82 KDM4E (0.35) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL10059048 0.81 KDM4E (0.44) NPY5RKDM4EATML3MBTL1MAPT
SCHEMBL10059928 0.81 KDM4E (0.44) NPY5RKDM4EATML3MBTL1CYP1A2

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