SCHEMBL12987482

SCHEMBL12987482

Nc1cccc(OCc2nnn[nH]2)c1OCc1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
LTA4H P09960 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL12017474 0.80 APP (0.37) MEN1KMT2AAPPMAPT
SCHEMBL9132731 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTLTA4H
SCHEMBL12987122 0.76 HTT (0.35) MAPT
SCHEMBL3327880 0.74 MAPT (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL3060051 0.73 MAOB (0.51) APPALDH1A1MAPT
SCHEMBL12017402 0.72 APP (0.49) MEN1KMT2AAPPALDH1A1MAPT
SCHEMBL20137819 0.72 SRC (0.48) KMT2AALDH1A1
SCHEMBL12844914 0.71 MAOB (0.44) KMT2AAPPALDH1A1MAPT
SCHEMBL1243217 0.70 RAB9A (0.47) MEN1KMT2AAPPALDH1A1
SCHEMBL2021856 0.70 AURKA (0.36) MEN1KMT2AAPPALDH1A1MAPT

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
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed