SCHEMBL16613453

SCHEMBL16613453

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3sccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.35
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16613468 0.98 VCP (0.34) VCPADORA2A
SCHEMBL16613544 0.94 VCP (0.33) VCP
SCHEMBL16613454 0.93 VCP (0.33) VCP
SCHEMBL16613419 0.92 VCP (0.33) VCP
SCHEMBL16613545 0.92 ADORA2A (0.36) VCPADORA2A
SCHEMBL16613420 0.91 VCP (0.31) VCP
SCHEMBL16613421 0.90 VCP (0.30) VCP
SCHEMBL16613529 0.89 VCP (0.33) VCPKDM4EATML3MBTL1MEN1
SCHEMBL16613487 0.89 VCP (0.33) VCP
SCHEMBL16613458 0.88 MCL1 (0.35) VCPADORA2A

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