SCHEMBL16613714

SCHEMBL16613714

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3sccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.34
ADORA2A P29274 1/20 0.33
PTGER1 P34995 1/20 0.31
DHODH Q02127 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL16613469 0.91 VCP (0.36) VCPADORA2APTGER1DHODHKDM4E
SCHEMBL16613715 0.90 VCP (0.33) VCP
SCHEMBL16613625 0.90 VCP (0.34) VCPALDH1A1MAPTHPGD
SCHEMBL16613713 0.89 DHODH (0.36) VCPADORA2APTGER1DHODHKDM4E
SCHEMBL16613531 0.89 ADORA2A (0.39) VCPADORA2APTGER1DHODHKDM4E
SCHEMBL16613702 0.88 VCP (0.32) VCP
SCHEMBL16613628 0.87 ADORA2A (0.41) VCPADORA2ADHODH
SCHEMBL16613555 0.87 DHODH (0.34) VCPADORA2ADHODH
SCHEMBL16613554 0.87 VCP (0.31) VCP
SCHEMBL16613721 0.86 KDM4E (0.33) VCPKDM4E

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