SCHEMBL16613331

SCHEMBL16613331

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)c5occc5n4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
MCL1 Q07820 6/20 0.37
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
PTGER4 P35408 1/20 0.33
METAP1 P53582 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
PPP1CA P62136 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL16613399 0.88 KDM4E (0.40) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613769 0.87 MCL1 (0.43) NPY5RMCL1KDM4EMETAP1HSD17B10
SCHEMBL16613471 0.87 KDM4E (0.39) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613463 0.86 NPY5R (0.40) NPY5RMCL1KDM4EL3MBTL1ATM
SCHEMBL16613401 0.85 KDM4E (0.38) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613500 0.85 KDM4E (0.38) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613391 0.84 KDM4E (0.37) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613308 0.84 KDM4E (0.37) NPY5RKDM4EL3MBTL1ATMPTGER4
SCHEMBL16613473 0.83 KDM4E (0.36) KDM4EL3MBTL1ATMPTGER4TSHR
SCHEMBL16613472 0.82 KDM4E (0.35) NPY5RKDM4EL3MBTL1ATMPTGER4

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