SCHEMBL28049658

SCHEMBL28049658

O=NOS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA3 P07451 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 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
SCHEMBL21905148 0.81 ALDH1A1 (0.48) MAPTGAAALDH1A1CYP3A4MAPK1
SCHEMBL7850856 0.79 ALDH1A1 (0.56) MAPTGAAALDH1A1CYP3A4MAPK1
SCHEMBL11310744 0.78 ALDH1A1 (0.51) MAPTGAAALDH1A1CYP3A4MAPK1
SCHEMBL28295396 0.78 MAPT (0.53) MAPTGAAALDH1A1CA1CA2
SCHEMBL25789837 0.78 LMNA (0.48) MAPTGAAALDH1A1CA1CA2
SCHEMBL28268206 0.78 TSHR (0.50) MAPTGAAALDH1A1CYP3A4CA1
SCHEMBL10815691 0.77 MAPT (0.50) MAPTALDH1A1MAPK1CA1CA2
SCHEMBL1969965 0.77 ALDH1A1 (0.59) MAPTGAAALDH1A1CYP3A4MAPK1
SCHEMBL28864044 0.77 ALDH1A1 (0.59) MAPTGAAALDH1A1CYP3A4MAPK1
SCHEMBL197599 0.73 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4MAPK1CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103613625-B A kind of Avrmectin compounds and preparation method thereof and the purposes in agricultural chemicals LANZHOU UNIVERSITY (CN) 2016-03-02 CN claimed
CN-109776526-A Condensed cyclic triazole-(sulfonyl) Triazenes derivative and its preparation method and use 西南医科大学 2019-05-21 CN disclosed
CN-109761875-A A kind of new method constructing amido bond 盐城工学院 2019-05-17 CN disclosed
CN-103613625-B A kind of Avrmectin compounds and preparation method thereof and the purposes in agricultural chemicals LANZHOU UNIVERSITY (CN) 2016-03-02 CN disclosed