SCHEMBL14740843

SCHEMBL14740843

O=C(O)Nc1ccc(Br)cc1NC(=O)CC(=O)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL14740751 0.84 MEN1 (0.47) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL14740818 0.78 STING1 (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL17336575 0.75 RAB9A (0.43) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL14053110 0.74 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL18064949 0.68 MCL1 (0.73) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL1321794 0.68 KDM4E (0.61) KMT2ANPC1RAB9AKDM4ELMNA
SCHEMBL16407456 0.66 AAK1 (0.39) ALDH1A1
SCHEMBL14740851 0.65 MAPT (0.37) KMT2AMEN1RAB9AKDM4EGAA
SCHEMBL14740755 0.64 ALDH1A1 (0.37) KMT2AMEN1CTDSP1NPC1KDM4E
SCHEMBL23354039 0.64 KDM4E (0.55) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO disclosed