SCHEMBL884018

SCHEMBL884018

Cc1ccccc1N(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.49
ROCK1 Q13464 12/20 0.49
EPHX2 P34913 1/20 0.42
ATG4B Q9Y4P1 1/20 0.39
LCK P06239 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
SGK1 O00141 1/20 0.37
AKT1 P31749 1/20 0.37
GSK3B P49841 1/20 0.37
LIMK1 P53667 1/20 0.37
TNK2 Q07912 1/20 0.37
DMPK Q09013 1/20 0.37
MYLK Q15746 1/20 0.37

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
SCHEMBL884020 0.88 ROCK2 (0.49) ROCK2ROCK1EPHX2ATG4BNR1H4
SCHEMBL4725688 0.85 ROCK2 (0.56) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL352838 0.84 ROCK2 (0.54) ROCK2ROCK1EPHX2ATG4BKMT2A
SCHEMBL353616 0.84 ROCK2 (0.53) ROCK2ROCK1EPHX2ATG4BKMT2A
SCHEMBL355491 0.83 ROCK2 (0.55) ROCK2ROCK1EPHX2ATG4BKMT2A
SCHEMBL354366 0.79 ROCK2 (0.51) ROCK2ROCK1ATG4BKMT2ASGK1
SCHEMBL353532 0.78 ROCK2 (0.54) ROCK2ROCK1EPHX2ATG4BKMT2A
SCHEMBL352121 0.78 ROCK1 (0.60) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL353614 0.77 ROCK2 (0.49) ROCK2ROCK1ATG4BKMT2APOLB
SCHEMBL354724 0.77 ROCK1 (0.51) ROCK2ROCK1EPHX2ATG4BSGK1

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-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-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