SCHEMBL11435362

SCHEMBL11435362

COC(=O)C(C)Oc1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPK1 P28482 5/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PKM P14618 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
SCHEMBL2781396 0.82 NPC1 (0.67) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL11430304 0.82 MAPT (0.58) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL11429228 0.82 MAPT (0.50) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL27370252 0.81 NPC1 (0.61) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL6797863 0.79 MAPT (0.78) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL13902148 0.79 NPC1 (0.56) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL3251704 0.78 ALDH1A1 (0.61) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL11429866 0.78 ALDH1A1 (0.50) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL20603945 0.78 MAPT (0.62) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL8649480 0.78 NPC1 (0.60) 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-0013145-A2 Substituted anilinopyridines, processes for their preparation and intermediates for use therein, compositions and herbicidal use thereof ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed