SCHEMBL4367173

SCHEMBL4367173

N#Cc1ccc(NC(=O)NC(CCCO)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.44
HDAC3 O15379 15/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC2 Q92769 10/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 2/20 0.38
NCOR1 O75376 1/20 0.38
ROCK2 O75116 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
SCHEMBL3223818 0.90 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4232555 0.86 HDAC1 (0.49) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4365544 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4234988 0.81 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4225220 0.78 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL2384770 0.77 UTS2R (0.54) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4224033 0.77 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3229763 0.77 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229434 0.77 UTS2R (0.55) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229378 0.77 HDAC1 (0.48) 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 claimed
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