SCHEMBL8360839

SCHEMBL8360839

CCOC(=O)c1cc(N)cc(-c2cnc(NC3CC3)c(=O)n2CC(=O)NCc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.46
HDAC6 Q9UBN7 6/20 0.43
F2 P00734 4/20 0.43
F3 P13726 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PRSS1 P07477 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL8362509 0.91 F7 (0.54) F7HDAC6F2F3HDAC4
SCHEMBL6791169 0.84 F7 (0.64) F7F2F3PRSS1
SCHEMBL8360327 0.84 F7 (0.60) F7HDAC6F2F3HDAC4
SCHEMBL8360894 0.84 F7 (0.51) F7F2F3PRSS1PRSS2
SCHEMBL8363693 0.83 F7 (0.53) F7F2F3PRSS1PRSS2
SCHEMBL8360338 0.82 F7 (0.56) F7F2F3PRSS1PRSS2
SCHEMBL8363570 0.81 F7 (0.64) F7HDAC6F2F3HDAC4
SCHEMBL8363200 0.81 F7 (0.70) F7HDAC6F2F3HDAC4
SCHEMBL8363355 0.79 F7 (0.62) F7HDAC6F2F3HDAC4
SCHEMBL6790244 0.78 F7 (0.50) F7F2F3PRSS1PRSS2

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-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed