SCHEMBL4220728

SCHEMBL4220728

CSCCNC(=O)NC(CCN(C)C)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.41
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3234560 0.91 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL4227998 0.90 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3233800 0.89 UTS2R (0.46) UTS2RROCK2ROCK1
SCHEMBL3225551 0.88 UTS2R (0.41) UTS2RROCK2ROCK1ALDH1A1
SCHEMBL4232522 0.87 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL4224427 0.87 UTS2R (0.40) UTS2RROCK2ROCK1SMN1; SMN2
SCHEMBL3232007 0.87 UTS2R (0.45) UTS2RROCK2ROCK1
SCHEMBL4219227 0.86 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL4228771 0.86 UTS2R (0.44) UTS2RROCK2ROCK1
SCHEMBL4225350 0.86 UTS2R (0.42) UTS2RROCK2ROCK1

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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed