SCHEMBL28048244

SCHEMBL28048244

NOS(=O)(=O)c1c(C=Cc2ccccc2)cc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)ON

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TRPA1 O75762 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 1/20 0.33
PELI1 Q96FA3 1/20 0.33
TTR P02766 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 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
SCHEMBL28048291 0.85 TRPA1 (0.37) KDM4EMEN1USP2ALDH1A1TP53
SCHEMBL4969730 0.84 TRPA1 (0.41) KDM4EMEN1USP2ALDH1A1TP53
SCHEMBL25256899 0.73 NFE2L2 (0.39) TRPA1NFE2L2LMNAPPARGCYP19A1
SCHEMBL31390770 0.72 NFE2L2 (0.38) TRPA1NFE2L2LMNAPPARGCYP19A1
SCHEMBL29156656 0.72 NFE2L2 (0.38) TRPA1NFE2L2LMNAPPARGCYP19A1
SCHEMBL28332360 0.72 NFE2L2 (0.43) TRPA1NFE2L2LMNAPPARGCYP19A1
SCHEMBL285312 0.72 TRPA1 (0.47) ALDH1A1MAPTSMN1; SMN2TRPA1HTR2A
SCHEMBL3936740 0.71 TRPA1 (0.46) ALDH1A1MAPTSMN1; SMN2TRPA1HTR2A
Ammonia Solution, Strong SCHEMBL27680778 0.71 TRPA1 (0.46) ALDH1A1MAPTSMN1; SMN2TRPA1HTR2A
SCHEMBL5145247 0.71 TRPA1 (0.46) SMN1; SMN2TRPA1HTR2AHTR2CKCNH2

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