SCHEMBL9532475

SCHEMBL9532475

CCOC(=O)c1ccc(NN2C(=O)C(C)=C(C)[N+]2=O)cc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA12 O43570 10/20 0.39
CA9 Q16790 7/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CA5A P35218 3/20 0.36
HPGD P15428 2/20 0.36
CA7 P43166 4/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CA6 P23280 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
AURKB Q96GD4 2/20 0.35
AURKA O14965 1/20 0.35
CA4 P22748 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL9530201 0.83 CA1 (0.44) CA1CA2CA12CA9KMT2A
SCHEMBL9531300 0.77 CA1 (0.39) CA1CA2CA12CA9KMT2A
SCHEMBL9530711 0.76 CA1 (0.50) CA1CA2CA12CA9KMT2A
SCHEMBL9531877 0.73 CA1 (0.55) CA1CA2CA12CA9KMT2A
SCHEMBL8539079 0.73 CA1 (0.47) CA1CA2CA12CA9KMT2A
SCHEMBL9738324 0.72 CA2 (0.49) CA1CA2CA12CA9CA5A
SCHEMBL28090844 0.69 CA1 (0.52) CA1CA2CA12CA9KMT2A
SCHEMBL28732676 0.68 CA2 (0.51) CA1CA2CA12CA9KMT2A
SCHEMBL9530660 0.67 ALDH1A1 (0.40) CA1CA2CA12CA9KMT2A
SCHEMBL30748712 0.65 CA1 (0.68) CA1CA2CA12CA9KMT2A

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-0153229-B1 1-DETHIA 2-THIA-CEPHALOSPORANIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND THE COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-07 EP disclosed
US-5129942-A For controlling monocotyledonous and dicotyledonous weeds on agricultural land KUREHA KAGAKU KOGYO K.K. (JP) 1992-07-14 US disclosed
US-5028255-A N-substituted-3-[(2,3-dimethylmaleimido)amino)]-benzenesulfonamide derivatives, hebicidal compositions and method of use KUREHA KAGAKU KOGYO K.K. (JP) 1991-07-02 US disclosed
EP-0153229-A2 1-Dethia 2-thia-cephalosporanic acid derivatives, process and intermediates for their preparation, their use as therapeutic agents and the compositions containing them ROUSSEL-UCLAF (FR) 1985-08-28 EP disclosed