SCHEMBL8933169

SCHEMBL8933169

Cc1cccc(CC(=O)Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 2/20 0.49
KCNQ2 O43526 1/20 0.48
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK8 P45983 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 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
SCHEMBL8697182 0.86 L3MBTL1 (0.60) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL8802550 0.85 MAPK1 (0.58) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL8801786 0.82 L3MBTL1 (0.53) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL8803437 0.79 MAPK1 (0.68) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL11041589 0.77 MEN1 (0.56) L3MBTL1KMT2AMAPTMAPK1PKM
SCHEMBL1455302 0.77 MAPT (0.57) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL5316948 0.75 MEN1 (0.46) L3MBTL1KMT2AMAPTPKMALDH1A1
SCHEMBL8801496 0.74 GAA (0.65) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL8490865 0.73 SNCA (0.44) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL6609242 0.73 MEN1 (0.47) KMT2AMAPTNPC1RAB9AALDH1A1

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-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed