SCHEMBL9502499

SCHEMBL9502499

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45
THRB P10828 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
GPR35 Q9HC97 1/20 0.41
CDC25B P30305 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL16993596 0.84 TSHR (0.61) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL1947839 0.83 TSHR (0.58) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL31274731 0.81 TSHR (0.57) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9500837 0.79 TSHR (0.55) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9657601 0.79 TSHR (0.55) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9500972 0.77 TSHR (0.47) TSHRTDP1L3MBTL1ALOX15THRB
SCHEMBL9657235 0.77 TSHR (0.51) TSHRTDP1L3MBTL1ALOX15POLB
SCHEMBL9499155 0.74 ALOX15 (0.50) ALOX15ALDH1A1KDM4EGAAMAPT
SCHEMBL15507331 0.74 TSHR (0.65) TSHRTDP1L3MBTL1POLBALDH1A1
SCHEMBL9499198 0.74 DTYMK (0.54) TSHRTHRBPOLBKMT2AMEN1

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 2 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 disclosed
EP-0312922-A2 Oxethylsulfonyl-nitro- or -amino-benzoic acids and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-26 EP disclosed