SCHEMBL1408703

SCHEMBL1408703

COC(=O)C(Cl)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL25432578 0.78 MAPT (0.58) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL27451916 0.77 MAPT (0.53) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1408332 0.77 MAPT (0.52) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1414433 0.76 MAPT (0.62) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1408528 0.76 LMNA (0.54) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL27370252 0.75 NPC1 (0.61) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1414434 0.75 MAPT (0.70) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL11435362 0.74 MAPT (0.60) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL7037530 0.73 MAPK13 (0.72) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL15954532 0.73 MAPT (0.56) MAPTNPC1RAB9AMAPK1NFKB1

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-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed