SCHEMBL8360327

SCHEMBL8360327

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.60
F3 P13726 4/20 0.46
PRSS1 P07477 1/20 0.46
F2 P00734 2/20 0.46
HDAC6 Q9UBN7 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL8363570 0.93 F7 (0.64) F7F3PRSS1F2HDAC6
SCHEMBL8363200 0.93 F7 (0.70) F7F3PRSS1F2HDAC6
SCHEMBL8363355 0.91 F7 (0.62) F7F3PRSS1F2HDAC6
SCHEMBL8360129 0.88 F7 (0.59) F7F3PRSS1F2HDAC6
SCHEMBL8360799 0.87 F7 (0.64) F7F3PRSS1F2
SCHEMBL8360103 0.87 F7 (0.60) F7F3PRSS1F2HDAC6
SCHEMBL6792785 0.87 F7 (0.60) F7F3PRSS1F2HDAC6
SCHEMBL8363544 0.86 F7 (0.62) F7F3PRSS1F2
SCHEMBL6799050 0.85 F7 (0.59) F7F3PRSS1F2HDAC6
SCHEMBL8360839 0.84 F7 (0.46) F7F3PRSS1F2HDAC6

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