SCHEMBL4364256

SCHEMBL4364256

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2cccc(Cl)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
HDAC1 Q13547 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR2 P21452 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 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
SCHEMBL2386711 0.89 EPHX2 (0.49) EPHX2HDAC1
SCHEMBL4233200 0.89 HDAC3 (0.41) EPHX2HDAC1
SCHEMBL4233251 0.87 HDAC1 (0.39) EPHX2HDAC1KCNH2
SCHEMBL4224540 0.87 EPHX2 (0.48) EPHX2HDAC1
SCHEMBL4222636 0.86 RAB9A (0.44) MAPTHDAC1LMNA
SCHEMBL4228671 0.85 HDAC1 (0.41) HDAC1KCNH2
SCHEMBL4222628 0.85 HDAC1 (0.38) EPHX2HDAC1
SCHEMBL4229364 0.85 HDAC1 (0.40) HDAC1KCNH2
SCHEMBL4234525 0.84 HDAC1 (0.41) MAPTHSD17B10HDAC1LMNAKMT2A
SCHEMBL4235025 0.84 CASR (0.46) TRPV4HDAC1ALDH1A1GAATSHR

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