SCHEMBL13713702

SCHEMBL13713702

CCCOc1cc(OC)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 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
SCHEMBL4278660 0.84 ALDH1A1 (0.41) LMNATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL6335755 0.83 LMNA (0.43) LMNATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL31403787 0.83 ALDH1A1 (0.45) LMNATDP1ALDH1A1MAPTHTT
SCHEMBL439716 0.81 LMNA (0.59) LMNATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL6333835 0.79 EDNRB (0.42) LMNATDP1L3MBTL1EDNRBEDNRA
SCHEMBL13713681 0.77 NUDT1 (0.50) LMNATDP1L3MBTL1EDNRBEDNRA
SCHEMBL19330247 0.77 ALDH1A1 (0.38) LMNATDP1L3MBTL1EDNRBEDNRA
SCHEMBL19330187 0.77 ALDH1A1 (0.35) LMNATDP1L3MBTL1EDNRBEDNRA
SCHEMBL30701161 0.77 ALDH1A1 (0.35) LMNATDP1L3MBTL1EDNRBEDNRA
SCHEMBL6333728 0.75 L3MBTL1 (0.48) LMNATDP1L3MBTL1EDNRBEDNRA

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
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed