SCHEMBL28048291

SCHEMBL28048291

NOS(=O)(=O)c1c(C=Cc2ccccc2)ccc(S(=O)(=O)O)c1S(=O)(=O)ON

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PELI1 Q96FA3 2/20 0.34
NFE2L2 Q16236 3/20 0.34
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33

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
SCHEMBL28048244 0.85 KDM4E (0.35) TRPA1HTR2AHTR2CKCNH2KDM4E
SCHEMBL25256899 0.79 NFE2L2 (0.39) TRPA1NFE2L2LMNAPPARG
SCHEMBL31390770 0.78 NFE2L2 (0.38) TRPA1NFE2L2LMNAPPARG
SCHEMBL29156656 0.78 NFE2L2 (0.38) TRPA1NFE2L2LMNAPPARG
SCHEMBL28765000 0.76 TRPA1 (0.41) TRPA1HTR2AHTR2CKCNH2SMN1; SMN2
SCHEMBL28332360 0.75 NFE2L2 (0.43) TRPA1NFE2L2LMNAPPARG
SCHEMBL285312 0.75 TRPA1 (0.47) TRPA1HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL5145247 0.74 TRPA1 (0.46) TRPA1HTR2AHTR2CKCNH2SMN1; SMN2
SCHEMBL3936740 0.74 TRPA1 (0.46) TRPA1HTR2AHTR2CKCNH2ALDH1A1
Ammonia Solution, Strong SCHEMBL27680778 0.74 TRPA1 (0.46) TRPA1HTR2AHTR2CKCNH2ALDH1A1

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-105143113-A White Water Recovery Process KADANT INC 2015-12-09 CN disclosed