SCHEMBL4780804

SCHEMBL4780804

CCc1cc(OC(F)F)cc2[nH]c(-c3ccc(C(N)=O)cc3)c(C#N)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
RPS27 P42677 1/20 0.33
MAPK8 P45983 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
MPL P40238 1/20 0.32

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
SCHEMBL4773204 0.86 CHEK2 (0.38) CHEK2RPS27MAPK8PDE10A
SCHEMBL4779864 0.75 NOX1 (0.41) PDE10AKDM4E
SCHEMBL4778982 0.69 PSEN1 (0.36) KDM4E
SCHEMBL4879715 0.68 PIM1 (0.44) L3MBTL1KDM4EGAA
SCHEMBL4776292 0.68 PDE10A (0.38) L3MBTL1PDE10AKDM4E
SCHEMBL2879121 0.67 PARP10 (0.38) L3MBTL1RPS27MAPK8KDM4EGAA
SCHEMBL8590356 0.65 TUBB4A (0.48) CHEK2L3MBTL1KDM4EGAA
SCHEMBL23224123 0.63 F2 (0.44) L3MBTL1KDM4EPARP15PARP10PARP2
SCHEMBL2762402 0.63 PARP10 (0.66) L3MBTL1KDM4EPARP15PARP10PARP2
SCHEMBL10191575 0.63 KIT (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed