SCHEMBL4368308

SCHEMBL4368308

Nc1ccccc1NC(=O)c1ccc(C(CCC(=O)O)NC(=O)Nc2ccc(F)c(F)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.47
HDAC3 O15379 16/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC2 Q92769 12/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
NCOR2 Q9Y618 8/20 0.44
NCOR1 O75376 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3230138 0.86 UTS2R (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4228901 0.86 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229796 0.86 HDAC1 (0.53) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2383746 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2385454 0.80 UTS2R (0.45) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2386741 0.80 HDAC3 (0.43) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2385632 0.79 UTS2R (0.43) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229534 0.79 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2384677 0.79 HDAC1 (0.49) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4224435 0.77 HDAC1 (0.47) 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 1 patent. 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