SCHEMBL16613628

SCHEMBL16613628

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4sccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
VCP P55072 1/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34
PDE4B Q07343 1/20 0.32
DHODH Q02127 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) ADORA2AVCPDHODH
SCHEMBL16613713 0.89 DHODH (0.36) ADORA2AVCPDHODH
SCHEMBL16613657 0.89 ADORA2A (0.48) ADORA2AVCPGGPS1FDPSPDE4B
SCHEMBL16613714 0.87 VCP (0.34) ADORA2AVCPDHODH
SCHEMBL16613555 0.87 DHODH (0.34) ADORA2AVCPDHODH
SCHEMBL13086877 0.84 MAPT (0.40) ADORA2A
SCHEMBL16613625 0.84 VCP (0.34) VCP
SCHEMBL16613626 0.82 SIRT2 (0.32) VCPDHODH
SCHEMBL16613554 0.82 VCP (0.31) VCP
SCHEMBL16613702 0.82 VCP (0.32) VCP

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