SCHEMBL16613626

SCHEMBL16613626

c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3sccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
VCP P55072 1/20 0.31
DHODH Q02127 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL16613554 0.90 VCP (0.31) VCP
SCHEMBL16613555 0.89 DHODH (0.34) VCPDHODH
SCHEMBL16613713 0.89 DHODH (0.36) VCPDHODH
SCHEMBL16613469 0.88 VCP (0.36) VCPDHODH
SCHEMBL16613702 0.86 VCP (0.32) VCP
SCHEMBL16613625 0.83 VCP (0.34) VCP
SCHEMBL16613534 0.83 DHODH (0.39) VCPDHODH
SCHEMBL16613628 0.82 ADORA2A (0.41) VCPDHODH
SCHEMBL16613714 0.82 VCP (0.34) VCPDHODH
SCHEMBL16613362 0.82 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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