SCHEMBL13981920

SCHEMBL13981920

Bc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10504393 0.84 PTGS2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4173816 0.84 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4180130 0.83 MAPT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL6708261 0.83 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL16388497 0.83 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL532856 0.82 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18586978 0.82 TTR (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL531797 0.82 POLB (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL531660 0.81 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL12309435 0.80 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed