SCHEMBL9500837

SCHEMBL9500837

CC(O)S(=O)(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
DNA2 P51530 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL9657601 0.89 TSHR (0.55) TSHRTDP1L3MBTL1ALOX15GLA
SCHEMBL16993596 0.82 TSHR (0.61) TSHRTDP1L3MBTL1ALOX15GLA
SCHEMBL1947839 0.80 TSHR (0.58) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9502499 0.79 TSHR (0.58) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL31274731 0.79 TSHR (0.57) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9500846 0.78 TSHR (0.45) TSHRTDP1L3MBTL1ALOX15GLA
SCHEMBL9659714 0.76 ALOX15 (0.47) L3MBTL1ALOX15ALDH1A1MAPTKDM4E
SCHEMBL9658489 0.75 DTYMK (0.51) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL16289708 0.75 TSHR (0.59) TSHRTDP1L3MBTL1GLAPOLB
SCHEMBL9657235 0.74 TSHR (0.51) TSHRTDP1L3MBTL1ALOX15POLB

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 7 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 claimed
US-5101069-A PROCESS FOR THE PREPARATION OF HYDROXYETHYLSULFONYLNITRO- AND HYDROXYETHYLSULFONYLAMINO-BENZOIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
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
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