SCHEMBL12460895

SCHEMBL12460895

Nc1sccc1C(=O)c1ccc(C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 5/20 0.65
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NPC1 O15118 2/20 0.60
MAPT P10636 5/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL4065880 0.79 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1143297 0.79 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL5505167 0.79 MEN1 (1.00) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL136847 0.79 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1424722 0.79 ALDH1A1 (1.00) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL27854840 0.78 MEN1 (0.71) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1365078 0.75 RAB9A (0.72) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL8289685 0.75 RAB9A (0.64) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL6852409 0.73 ALDH1A1 (0.68) ALDH1A1LMNAHSD17B10MAPTHTT
SCHEMBL15453216 0.72 ALDH1A1 (0.47) RAB9AALDH1A1LMNAGLAHSD17B10

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-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed