SCHEMBL4218016

SCHEMBL4218016

CN(C)CCC(NC(=O)Nc1ccc2ncccc2c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.49
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC4 P56524 3/20 0.40
MEF2D Q14814 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL4223686 0.87 UTS2R (0.53) UTS2RROCK2ROCK1MEN1NPC1
SCHEMBL3225632 0.86 NAMPT (0.44) UTS2RROCK2ROCK1MEN1NPC1
SCHEMBL3224956 0.86 UTS2R (0.48) UTS2RROCK2ROCK1MEN1MAPT
SCHEMBL3230618 0.85 UTS2R (0.47) UTS2RROCK2ROCK1MEN1MAPT
SCHEMBL3262927 0.84 UTS2R (0.61) UTS2RROCK2ROCK1
SCHEMBL3225647 0.83 UTS2R (0.43) UTS2RROCK2ROCK1HDAC1
SCHEMBL3232007 0.83 UTS2R (0.45) UTS2RROCK2ROCK1
SCHEMBL3234013 0.82 UTS2R (0.43) UTS2RROCK2ROCK1MEN1MAPT
SCHEMBL3233601 0.82 UTS2R (0.42) UTS2RROCK2ROCK1HDAC1HDAC4
SCHEMBL3234631 0.82 NAMPT (0.42) UTS2RROCK2ROCK1MEN1NPC1

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