SCHEMBL4795394

SCHEMBL4795394

COc1ccc(CCC(N)c2csc(NC(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.44
ROCK2 O75116 5/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPK14 Q16539 1/20 0.40
CSNK1D P48730 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4795390 0.82 ROCK1 (0.45) ROCK1ROCK2KMT2ACSNK1DALDH1A1
SCHEMBL353118 0.81 ROCK1 (0.47) ROCK1ROCK2KMT2AMEN1CSNK1D
SCHEMBL4781265 0.79 POLB (0.48) ROCK1ROCK2KMT2AMEN1CSNK1D
SCHEMBL3511697 0.76 ROCK1 (0.47) ROCK1ROCK2KMT2ACSNK1DALDH1A1
SCHEMBL351753 0.74 ROCK1 (0.45) ROCK1ROCK2KMT2ACSNK1DALDH1A1
SCHEMBL353962 0.73 ROCK1 (0.46) ROCK1ROCK2CSNK1DGSK3AGSK3B
SCHEMBL4776812 0.72 TSHR (0.48) ROCK1ROCK2KMT2AMEN1MAPK14
SCHEMBL352736 0.72 ROCK1 (0.40) ROCK1ROCK2KMT2AMEN1CSNK1D
SCHEMBL4725167 0.71 ROCK1 (0.52) ROCK1ROCK2CSNK1DGSK3AGSK3B
SCHEMBL3511578 0.71 ROCK1 (0.52) ROCK1ROCK2CSNK1DGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO disclosed