SCHEMBL16613713

SCHEMBL16613713

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4sccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
VCP P55072 1/20 0.35
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
PTGER1 P34995 1/20 0.31
LMNA P02545 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
SCHEMBL16613469 0.98 VCP (0.36) DHODHVCPADORA2AALDH1A1HPGD
SCHEMBL16613555 0.94 DHODH (0.34) DHODHVCPADORA2A
SCHEMBL16613702 0.90 VCP (0.32) VCP
SCHEMBL16613714 0.89 VCP (0.34) DHODHVCPADORA2AALDH1A1HPGD
SCHEMBL16613628 0.89 ADORA2A (0.41) DHODHVCPADORA2A
SCHEMBL16613626 0.89 SIRT2 (0.32) DHODHVCP
SCHEMBL16613485 0.88 DHODH (0.41) DHODHVCPADORA2AALDH1A1HPGD
SCHEMBL16613554 0.86 VCP (0.31) VCP
SCHEMBL16613484 0.86 ADORA2A (0.42) DHODHVCPADORA2AALDH1A1HPGD
SCHEMBL16613625 0.85 VCP (0.34) VCPALDH1A1HPGDMAPT

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