SCHEMBL4761708

SCHEMBL4761708

Nc1ccc(-c2ccccc2)cc1-n1cc(O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
IKBKB O14920 1/20 0.40
USP7 Q93009 1/20 0.39
EPHX2 P34913 1/20 0.38
ESR2 Q92731 3/20 0.37
ESR1 P03372 3/20 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
SCHEMBL1207015 0.71 L3MBTL1 (0.42) GAAMEN1KMT2AHSD17B10KDM4E
SCHEMBL2419571 0.68 GAA (1.00) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL23398990 0.66 GAA (0.56) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL565193 0.66 ALOX15 (0.77) GAAMEN1ALOX15KMT2AHSD17B10
SCHEMBL7803870 0.65 MAPT (0.46) GAAMEN1KMT2AHSD17B10KDM4E
SCHEMBL27731657 0.64 USP7 (0.60) GAAMEN1ALOX15KMT2AHSD17B10
SCHEMBL16872782 0.64 GAA (0.53) GAAMEN1ALOX15KMT2AKDM4E
SCHEMBL653071 0.63 TDP1 (0.74) GAAMEN1ALOX15KMT2AHSD17B10
SCHEMBL30392415 0.63 TDP1 (0.74) GAAMEN1ALOX15KMT2AHSD17B10
SCHEMBL27829121 0.63 TDP1 (0.74) GAAMEN1ALOX15KMT2AHSD17B10

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-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP claimed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO claimed