SCHEMBL4225191

SCHEMBL4225191

CN(C)CCCC(NC(=O)NCC(=O)c1ccccc1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.44
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
HDAC1 Q13547 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL4225350 0.95 UTS2R (0.42) UTS2RJAK3BTKROCK2ROCK1
SCHEMBL2383826 0.88 CTSK (0.41) UTS2R
SCHEMBL2383763 0.86 UTS2R (0.47) UTS2RHDAC1
SCHEMBL4377779 0.85 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL4219227 0.85 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3226314 0.85 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3218967 0.85 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL4223976 0.85 POLB (0.40)
SCHEMBL3234560 0.83 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL3222714 0.83 UTS2R (0.39) UTS2RHDAC1ROCK2ROCK1

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