SCHEMBL1408332

SCHEMBL1408332

O=C(O)Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
MAPK1 P28482 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GABRP O00591 1/20 0.42

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
SCHEMBL1414433 0.86 MAPT (0.62) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL25432578 0.79 MAPT (0.58) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1408528 0.77 LMNA (0.54) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1408703 0.77 MAPT (0.53) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL15954532 0.76 MAPT (0.56) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL1408345 0.76 MAPT (0.58) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL10815946 0.75 MAPT (0.68) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL20603943 0.74 MAPT (0.65) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL7037530 0.74 MAPK13 (0.72) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL6802809 0.74 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