SCHEMBL9498874

SCHEMBL9498874

O=C(O)c1cccc(SCCO)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CA2 P00918 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.36
▸ LPAR3 Q9UBY5 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL28798452 0.86 CA2 (0.39) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL1043222 0.80 POLB (0.57) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL27830765 0.80 TSHR (0.50) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL30534229 0.80 POLB (0.57) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL4904 0.80 POLB (0.57) ALDH1A1MAPTKMT2ARAB9AMEN1
Ethylene Glycol SCHEMBL29290024 0.80 TSHR (0.53) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL5249911 0.80 CA2 (0.46) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL9658167 0.79 CYP1A2 (0.65) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL9657224 0.78 TSHR (0.53) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL21802326 0.78 TSHR (0.47) ALDH1A1MAPTKMT2ARAB9AMEN1

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
EP-0312922-B1 OXETHYLSULFONYL-NITRO- OR -AMINO-BENZOIC ACIDS AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-02 — — EP claimed
US-5101069-A PROCESS FOR THE PREPARATION OF HYDROXYETHYLSULFONYLNITRO- AND HYDROXYETHYLSULFONYLAMINO-BENZOIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 — — US disclosed
US-4960929-A Chemical intermediate for making fiber reactive azo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-02 — — US disclosed
EP-0312922-A2 Oxethylsulfonyl-nitro- or -amino-benzoic acids and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-26 — — EP disclosed
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