SCHEMBL3655306

SCHEMBL3655306

CNCc1nc(NC(=O)NCc2cccc(F)c2)sc1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
ROCK1 Q13464 4/20 0.53
ATG4B Q9Y4P1 2/20 0.53
EPHX2 P34913 1/20 0.47
ANPEP P15144 1/20 0.44
NAMPT P43490 3/20 0.44
LMNA P02545 1/20 0.43
CHRM4 P08173 1/20 0.43
MAPK1 P28482 3/20 0.42
MAOB P27338 1/20 0.42
LCK P06239 1/20 0.40
IDH1 O75874 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
SCHEMBL353092 0.89 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL19119027 0.88 ROCK2 (0.53) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL3655303 0.88 ROCK2 (0.51) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL3657723 0.87 ROCK2 (0.53) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL3655305 0.86 ROCK2 (0.52) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL354189 0.85 ROCK2 (0.51) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL3657722 0.85 ROCK2 (0.51) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL19119111 0.83 ROCK2 (0.47) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL352626 0.79 ROCK2 (0.45) ROCK2ROCK1ATG4BEPHX2ANPEP
SCHEMBL354453 0.78 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2ANPEP

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 4 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-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