SCHEMBL3655698

SCHEMBL3655698

NC(=O)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
ROCK1 Q13464 4/20 0.53
ATG4B Q9Y4P1 1/20 0.53
MAPK1 P28482 3/20 0.45
EPHX2 P34913 1/20 0.45
NAMPT P43490 3/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.43
CHRM4 P08173 1/20 0.42
AURKA O14965 1/20 0.41
CDK8 P49336 1/20 0.41
AURKB Q96GD4 1/20 0.41
SRC P12931 1/20 0.41
GLS O94925 1/20 0.41
ANPEP P15144 1/20 0.40

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
SCHEMBL3657721 0.89 ROCK2 (0.52) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL3655305 0.89 ROCK2 (0.52) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL3657718 0.87 ROCK2 (0.49) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL3655570 0.87 ROCK2 (0.49) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353092 0.86 ROCK2 (0.54) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL3655696 0.84 ROCK2 (0.53) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353081 0.81 ROCK2 (0.50) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL352386 0.81 ROCK2 (0.49) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL885466 0.80 ROCK2 (0.53) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL3651578 0.80 ROCK1 (0.64) ROCK2ROCK1ATG4BMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed