SCHEMBL7972129

SCHEMBL7972129

O=[N+]([O-])c1cccc([CH]c2cncc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NFE2L2 Q16236 2/20 0.49
FBP1 P09467 2/20 0.48
VCP P55072 1/20 0.48
CYP19A1 P11511 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
METAP1 P53582 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TGM2 P21980 1/20 0.44
POLB P06746 1/20 0.44
AMY1A P0DUB6 1/20 0.44
HTT P42858 1/20 0.44
GLO1 Q04760 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6798522 0.89 NFE2L2 (0.60) ALDH1A1TDP1NFE2L2FBP1VCP
SCHEMBL6798527 0.89 NFE2L2 (0.60) ALDH1A1TDP1NFE2L2FBP1VCP
SCHEMBL7501598 0.84 NPC1 (0.46) ALDH1A1TDP1FBP1CYP19A1MEN1
SCHEMBL14880346 0.81 NFE2L2 (0.69) ALDH1A1TDP1NFE2L2FBP1VCP
SCHEMBL7971923 0.80 CHRM5 (0.47) NFE2L2FBP1MEN1KMT2AMAPT
SCHEMBL5250012 0.76 NFE2L2 (0.73) ALDH1A1NFE2L2FBP1VCPCYP19A1
SCHEMBL8436212 0.74 CYP11B2 (0.39) CYP19A1MAPTPLAUMAOB
SCHEMBL27887324 0.74 NFE2L2 (0.65) ALDH1A1TDP1NFE2L2FBP1VCP
SCHEMBL6798937 0.74 NFE2L2 (0.70) ALDH1A1TDP1NFE2L2FBP1VCP
SCHEMBL6798940 0.74 NFE2L2 (0.70) ALDH1A1TDP1NFE2L2FBP1VCP

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed