SCHEMBL16613720

SCHEMBL16613720

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)c5ccsc5n4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
KRAS P01116 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 3/20 0.33
MCL1 Q07820 3/20 0.33
VCP P55072 1/20 0.32
DHODH Q02127 2/20 0.32
ADORA2A P29274 1/20 0.32
PTGER4 P35408 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
METAP1 P53582 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
SCHEMBL16613566 0.88 KDM4E (0.40) NPY5RKDM4EATML3MBTL1VCP
SCHEMBL16613460 0.87 KRAS (0.45) NPY5RKRASKDM4EADORA1MCL1
SCHEMBL16613722 0.87 KDM4E (0.39) NPY5RKDM4EATML3MBTL1VCP
SCHEMBL16613716 0.85 KDM4E (0.38) NPY5RKDM4EATML3MBTL1VCP
SCHEMBL16613717 0.84 KDM4E (0.37) NPY5RKDM4EATML3MBTL1VCP
SCHEMBL16613564 0.83 KDM4E (0.36) KDM4EATML3MBTL1VCPDHODH
SCHEMBL16613592 0.83 KDM4E (0.36) KDM4EATML3MBTL1VCPDHODH
SCHEMBL16613591 0.82 KDM4E (0.35) NPY5RKDM4EATML3MBTL1VCP
SCHEMBL16613565 0.82 KDM4E (0.35) KDM4EATML3MBTL1VCPPTGER4
SCHEMBL10059048 0.81 KDM4E (0.44) NPY5RKDM4EATML3MBTL1DHODH

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