SCHEMBL8077840

SCHEMBL8077840

Nc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.80
HDAC3 O15379 6/20 0.80
HDAC2 Q92769 5/20 0.80
HDAC6 Q9UBN7 4/20 0.80
HDAC4 P56524 3/20 0.80
HDAC7 Q8WUI4 3/20 0.80
HDAC10 Q969S8 3/20 0.80
HDAC11 Q96DB2 3/20 0.80
HDAC8 Q9BY41 3/20 0.80
HDAC9 Q9UKV0 3/20 0.80
HDAC5 Q9UQL6 3/20 0.80
MAPK1 P28482 1/20 0.62
NCOR2 Q9Y618 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL1064411 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2360192 0.89 F10 (0.72) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2828860 0.88 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2830015 0.88 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL211201 0.86 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2499023 0.84 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL4577831 0.83 HDAC2 (0.70) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL3111008 0.83 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL8401704 0.83 HDAC1 (0.89) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2413063 0.82 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC6HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
WO-2009033281-A1 CANCER COMBINATION THERAPY WITH A SELECTIVE INHIBITOR OF HISTONE DEACETYLASE HDAC1, HDAC2 AND/OR HDAC3 AND A MICROTUBULE STABILIZER METHYLGENE INC. (CA) 2009-03-19 WO disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed