SCHEMBL9500729

SCHEMBL9500729

CC(=O)S(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.58
HCAR3 P49019 10/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL9499862 0.88 POLB (0.59) CASP6TSHRHCAR3POLBLMNA
SCHEMBL18113472 0.84 CASP6 (0.62) CASP6TSHRHCAR3POLBLMNA
SCHEMBL7591997 0.83 CASP6 (0.64) CASP6TSHRHCAR3POLBLMNA
SCHEMBL23704932 0.81 CASP6 (0.57) CASP6TSHRHCAR3POLBLMNA
SCHEMBL9657284 0.79 CASP6 (0.55) CASP6TSHRHCAR3POLBLMNA
SCHEMBL9657287 0.77 CASP6 (0.55) CASP6TSHRHCAR3POLBLMNA
SCHEMBL20150216 0.75 VCAM1 (0.55) CASP6TSHRPOLBMEN1KMT2A
SCHEMBL3530451 0.75 VCAM1 (0.71) CASP6TSHRHCAR3POLBLMNA
SCHEMBL504055 0.75 CASP6 (1.00) CASP6TSHRHCAR3LMNA
SCHEMBL29577830 0.75 CASP6 (1.00) CASP6TSHRHCAR3LMNA

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