SCHEMBL11682956

SCHEMBL11682956

COc1ccc(S(=O)(=O)O)cc1N=S(=O)=O.Nc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 4/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ F2 P00734 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35

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
Aniline SCHEMBL11685584 0.84 ALDH1A1 (0.41) PTGS1PTGS2MAPK1F2PRSS1
SCHEMBL11683404 0.84 ALDH1A1 (0.38) PTGS1PTGS2ALDH1A1KMT2ATSHR
SCHEMBL11681974 0.84 CYP2C9 (0.41) MAPK1F2PRSS1PRSS2PRSS3
3-Chloroaniline SCHEMBL11682537 0.78 ALDH1A1 (0.43) PTGS1PTGS2MAPK1F2PRSS1
SCHEMBL11686361 0.78 PTPN11 (0.37) PTGS1PTGS2F2PRSS1PRSS2
SCHEMBL11679955 0.74 TSHR (0.37) PTGS1PTGS2ALDH1A1CYP1A2CYP3A4
SCHEMBL11685478 0.74 ALDH1A1 (0.44) PTGS1MAPK1F2PRSS1PRSS2
O-Tolylamine SCHEMBL11682944 0.72 PHLPP2 (0.38) PTGS1MAPK1F2PRSS1PRSS2
3-Chloroaniline SCHEMBL11687359 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP3A4TSHR
SCHEMBL1803949 0.71 POLB (0.46) PTGS1PTGS2MAPK1F2PRSS1

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
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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