SCHEMBL4229384

SCHEMBL4229384

CN(C)CCCC(NC(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.43
ROCK1 Q13464 11/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC8 Q9BY41 2/20 0.39
PHGDH O43175 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4219387 0.88 HDAC3 (0.47) ROCK2ROCK1MAPTHDAC3HDAC1
SCHEMBL4227705 0.87 METAP1 (0.47) UTS2RLMNA
SCHEMBL4377779 0.87 UTS2R (0.52) ROCK2ROCK1UTS2R
SCHEMBL3222714 0.84 UTS2R (0.39) ROCK2ROCK1HDAC1UTS2R
SCHEMBL3215252 0.84 UTS2R (0.39) ROCK2ROCK1MAPTUTS2R
SCHEMBL3231734 0.84 UTS2R (0.42) ROCK2ROCK1UTS2R
SCHEMBL3226314 0.83 UTS2R (0.42) ROCK2ROCK1UTS2RLMNA
SCHEMBL4229327 0.82 LMNA (0.39) MAPTUTS2RLMNA
SCHEMBL4233242 0.82 METAP1 (0.49) ROCK2ROCK1UTS2RLMNA
SCHEMBL4229370 0.82 MAPT (0.43) ROCK2ROCK1MAPTHDAC3HDAC1

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