SCHEMBL752931

SCHEMBL752931

CC(=O)ON=C(N)c1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 13/20 0.41
RAB9A P51151 12/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TNF P01375 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
PKM P14618 6/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL752930 1.00 MAPT (0.42) MAPTKDM4ENPC1RAB9ACDK5
SCHEMBL6972037 0.81 NPC1 (0.36) MAPTNPC1RAB9ACDK5CDK5R1
SCHEMBL6972040 0.81 NPC1 (0.36) MAPTNPC1RAB9ACDK5CDK5R1
SCHEMBL27772250 0.79 NPC1 (0.60) MAPTNPC1RAB9ACDK5CDK5R1
SCHEMBL10111458 0.79 NPC1 (0.60) MAPTNPC1RAB9ACDK5CDK5R1
SCHEMBL6962204 0.73 KDM1A (0.38) RAB9ALMNAGAAL3MBTL1KMT2A
SCHEMBL6962199 0.73 KDM1A (0.38) RAB9ALMNAGAAL3MBTL1KMT2A
SCHEMBL96050 0.73
SCHEMBL103388 0.73
SCHEMBL8196494 0.72 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
WO-2012035216-A1 DIHYDROBENZOXATHIAZEPINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE AS AMPA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2012-03-22 WO disclosed
EP-2431360-A1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors Les Laboratoires Servier (FR) 2012-03-21 EP disclosed