SCHEMBL16613702

SCHEMBL16613702

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5sccc45)cc3)cccc2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
FLT3 P36888 1/20 0.30
BMX P51813 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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 0.92 VCP (0.31) VCP
SCHEMBL16613625 0.91 VCP (0.34) VCP
SCHEMBL16613656 0.91 VCP (0.35) VCPENPP3ENPP1CA12CA1
SCHEMBL16613713 0.90 DHODH (0.36) VCP
SCHEMBL16613469 0.90 VCP (0.36) VCP
SCHEMBL16613715 0.89 VCP (0.33) VCP
SCHEMBL16613714 0.88 VCP (0.34) VCP
SCHEMBL16613626 0.86 SIRT2 (0.32) VCP
SCHEMBL16613555 0.84 DHODH (0.34) VCP
SCHEMBL16613591 0.84 KDM4E (0.35) VCPCA12CA1CA2CA9

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