SCHEMBL4776654

SCHEMBL4776654

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
DHODH Q02127 2/20 0.36
XDH P47989 1/20 0.36
PDE2A O00408 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE9A O76083 1/20 0.35
TRPA1 O75762 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA1 P30542 3/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
KIF11 P52732 1/20 0.31

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 0.88 CHEK2 (0.38) PDE10ADHODHPDE2APDE4B
SCHEMBL4774185 0.78 FFAR4 (0.32) PDE10ADHODHPDE2APDE4B
SCHEMBL4779864 0.76 NOX1 (0.41) PDE10APDE9AMEN1KMT2AKDM4E
SCHEMBL4776292 0.70 PDE10A (0.38) PDE10APDE9AADORA1ADORA2AUSP2
SCHEMBL4778982 0.69 PSEN1 (0.36) MEN1KMT2AKDM4EGLAMAPT
SCHEMBL4879715 0.69 PIM1 (0.44) MEN1KMT2AKDM4EGLA
SCHEMBL4775583 0.68 PDE10A (0.35) PDE10AMEN1KMT2AKDM4EMAPT
SCHEMBL4777353 0.67 MAOA (0.37) PDE10AADORA1ADORA2AMEN1USP2
SCHEMBL10097345 0.66 MAOA (0.50) ADORA1MEN1USP2KMT2AKDM4E
SCHEMBL4771469 0.65 TLR9 (0.33) MEN1USP2KMT2AMAPT

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