SCHEMBL10642502

SCHEMBL10642502

C=CCOc1c(Cl)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PKM P14618 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CXCR5 P32302 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ NFKBIA P25963 1/20 0.41

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
SCHEMBL28380686 0.80 SMN1; SMN2 (0.61) ARGAASMN1; SMN2L3MBTL1NR1I2
SCHEMBL27176695 0.76 SMN1; SMN2 (0.63) ARGAASMN1; SMN2L3MBTL1NR1I2
SCHEMBL27176681 0.74 SMN1; SMN2 (0.64) ARGAASMN1; SMN2L3MBTL1NR1I2
SCHEMBL15318838 0.74 CA1 (0.54) ARGAASMN1; SMN2PKMCA1
SCHEMBL29592713 0.74 CA1 (0.54) ARGAASMN1; SMN2PKMCA1
SCHEMBL641243 0.72 SMN1; SMN2 (0.64) ARGAASMN1; SMN2L3MBTL1NR1I2
SCHEMBL31235173 0.71 AR (0.67) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL410747 0.71 AR (0.67) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL13689981 0.71 SMN1; SMN2 (0.60) ARGAASMN1; SMN2L3MBTL1NR1I2
SCHEMBL6343982 0.71 SMN1; SMN2 (0.60) ARGAASMN1; SMN2L3MBTL1PKM

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
EP-0136729-B1 PESTICIDAL BENZOYLUREA DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-02-03 — — EP disclosed
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