SCHEMBL10697897

SCHEMBL10697897

CCONc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HTT P42858 2/20 0.50
MERTK Q12866 1/20 0.45
TXNRD1 Q16881 6/20 0.44
GSR P00390 3/20 0.44
FGFR4 P22455 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
PGK1 P00558 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 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
SCHEMBL10697630 0.83 MAPT (0.55) MAPTHTTMERTKTXNRD1GSR
SCHEMBL30154422 0.80 MAPT (0.67) MAPTHTTMERTKTXNRD1GSR
SCHEMBL1978817 0.80 MAPT (0.67) MAPTHTTMERTKTXNRD1GSR
SCHEMBL15384087 0.80 MAPT (0.59) MAPTHTTMERTKTXNRD1GSR
SCHEMBL12210149 0.78 MAPT (0.56) MAPTHTTMERTKTXNRD1GSR
SCHEMBL29636874 0.78 MAPT (0.59) MAPTHTTMERTKTXNRD1GSR
SCHEMBL1242494 0.78 MAPT (0.59) MAPTHTTMERTKTXNRD1GSR
SCHEMBL31467200 0.78 MAPT (0.56) MAPTHTTMERTKTXNRD1GSR
SCHEMBL2282877 0.77 MAPT (0.60) MAPTHTTMERTKTXNRD1GSR
SCHEMBL720482 0.76 NPC1 (0.56) MAPTHTTMERTKFGFR4RPS6KB2

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed