SCHEMBL2439696

SCHEMBL2439696

CN(C)c1ccc2nc(OC(=O)O)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 19/20 0.46
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2436690 0.78 PTGS1 (0.54) APPKDM4ENPC1ALDH1A1
SCHEMBL4246721 0.72 RAB9A (0.53) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL2086625 0.72 KDM4E (0.63) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL1733303 0.72 ALDH1A1 (0.38) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL9760182 0.72 PTGS1 (0.58) KDM4ENPC1ALDH1A1MAPTPKM
Bromide SCHEMBL3774680 0.71 KDM4E (0.61) APPKDM4ENPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9120456 0.71 PTGS1 (0.57) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL8863213 0.70 ALDH1A1 (0.40) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL1733339 0.70 ALDH1A3 (0.38) ALDH1A1
SCHEMBL1733882 0.70 LRRK2 (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A

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
EP-2225241-B1 Derivatives of N-phenyl-imidazo-(1,2-A)-pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-09-14 EP claimed