SCHEMBL9499862

SCHEMBL9499862

CC(=O)S(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.58
HCAR3 P49019 11/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.54
VCAM1 P19320 1/20 0.52

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
SCHEMBL9500729 0.88 CASP6 (0.58) POLBCASP6TSHRHCAR3MEN1
SCHEMBL3530451 0.84 VCAM1 (0.71) POLBCASP6TSHRHCAR3MEN1
SCHEMBL9185447 0.83 CASP6 (0.64) POLBCASP6TSHRHCAR3MEN1
SCHEMBL28909765 0.81 POLB (0.62) POLBCASP6TSHRHCAR3MEN1
SCHEMBL9183692 0.81 POLB (0.62) POLBCASP6TSHRHCAR3MEN1
SCHEMBL6003204 0.81 POLB (0.62) POLBCASP6TSHRHCAR3MEN1
SCHEMBL20572634 0.81 POLB (0.62) POLBCASP6TSHRHCAR3MEN1
SCHEMBL9658192 0.79 POLB (0.56) POLBCASP6TSHRHCAR3MEN1
SCHEMBL6899620 0.78 MEN1 (0.69) POLBCASP6TSHRHCAR3MEN1
SCHEMBL9658195 0.77 POLB (0.56) POLBCASP6TSHRHCAR3MEN1

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