SCHEMBL4233340

SCHEMBL4233340

Nc1ccccc1NC(=O)c1ccc(CN(CCCCN2CCCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 1/20 0.34
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
HDAC8 Q9BY41 1/20 0.32
ROCK2 O75116 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2386867 0.95 HSD17B10 (0.38) HDAC1ROCK2USP2MAPTHSD17B10
SCHEMBL4228734 0.94 HSD17B10 (0.37) HDAC1ROCK2USP2MAPTHSD17B10
SCHEMBL4232503 0.93 HSD17B10 (0.40) HDAC1ROCK2USP2MAPTHSD17B10
SCHEMBL2386616 0.93 HDAC1 (0.35) HDAC1HDAC3HDAC2KCNH2ROCK2
SCHEMBL4224156 0.91 HDAC1 (0.34) HDAC1HDAC3HDAC2KCNH2USP2
SCHEMBL4217911 0.90 HDAC1 (0.35) HDAC1HDAC3HDAC2KCNH2HDAC8
SCHEMBL4232485 0.90 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4222606 0.90 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4222630 0.90 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC8
SCHEMBL2475828 0.89 HDAC1 (0.39) HDAC1HDAC3HDAC2MCHR1HDAC8

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-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed