SCHEMBL28437460

SCHEMBL28437460

O=c1cccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 5/20 0.56
HSD17B10 Q99714 2/20 0.54
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CASP7 P55210 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
S100A4 P26447 2/20 0.48
PTPRC P08575 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TP53 P04637 1/20 0.45

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
Benzene SCHEMBL27733069 0.84 ALDH1A1 (0.65) ALDH1A1TDP1HSD17B10KMT2AMAPK1
Benzene SCHEMBL27968727 0.81 ALDH1A1 (0.62) ALDH1A1TDP1HSD17B10KMT2AMAPK1
Hydrogen Peroxide SCHEMBL28789392 0.81 GPR35 (0.64) ALDH1A1TDP1HSD17B10KMT2AMAPK1
SCHEMBL29577518 0.81 HSD17B10 (0.67) ALDH1A1TDP1HSD17B10KMT2AMAPK1
SCHEMBL16355165 0.81 HSD17B10 (0.67) ALDH1A1TDP1HSD17B10KMT2AMAPK1
SCHEMBL22566 0.81 HSD17B10 (0.67) ALDH1A1TDP1HSD17B10KMT2AMAPK1
Ammonia Solution, Strong SCHEMBL11649737 0.78 HSD17B10 (0.64) ALDH1A1TDP1HSD17B10KMT2AMAPK1
SCHEMBL6553157 0.78 HSD17B10 (0.64) ALDH1A1TDP1HSD17B10KMT2AMAPK1
Hydrogen Sulfide SCHEMBL28883138 0.78 HSD17B10 (0.64) ALDH1A1TDP1HSD17B10KMT2AMAPK1
Fluoride SCHEMBL11797732 0.78 HSD17B10 (0.64) ALDH1A1TDP1HSD17B10KMT2AMAPK1

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
CN-104072582-B Novel peptides 乐敦制药株式会社 2020-07-28 CN disclosed