SCHEMBL4229795

SCHEMBL4229795

Nc1ccccc1NC(=O)c1ccc(CN(CCC(=O)O)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.38
HDAC3 O15379 14/20 0.38
HDAC2 Q92769 12/20 0.38
HDAC8 Q9BY41 9/20 0.37
HDAC6 Q9UBN7 4/20 0.35
NCOR1 O75376 1/20 0.35
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 3/20 0.34
NCOR2 Q9Y618 4/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL2386157 0.94 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4222606 0.92 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2383091 0.92 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2385700 0.91 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4225141 0.91 HDAC1 (0.36) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4232485 0.91 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4222630 0.90 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4217911 0.89 HDAC1 (0.35) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4233340 0.88 HDAC1 (0.34) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4232503 0.87 HSD17B10 (0.40) HDAC1

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