SCHEMBL4229378

SCHEMBL4229378

CCN(CC)CCCC(NC(=O)Nc1ccc(N(C)C)cc1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
HDAC3 O15379 10/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
NCOR2 Q9Y618 2/20 0.40
UTS2R Q9UKP6 2/20 0.40
TMEM97 Q5BJF2 6/20 0.39
SIGMAR1 Q99720 6/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL4224033 0.91 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4225220 0.90 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4219548 0.90 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3229763 0.89 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2383746 0.88 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4219358 0.87 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229534 0.87 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4223952 0.86 HDAC1 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4228699 0.85 HDAC1 (0.50) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4233203 0.84 HDAC4 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10

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