SCHEMBL9507454

SCHEMBL9507454

Cc1ccc(OS(=O)(=O)c2nc[nH]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
PPARG P37231 2/20 0.36
CA12 O43570 2/20 0.35
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9492468 0.83 CA1 (0.42) CA2CA1CA9MAPTALDH1A1
SCHEMBL8982299 0.80 CA1 (0.50) CA2CA1CA9ALDH1A1ENPP3
SCHEMBL5376312 0.76 GAA (0.52) CA2CA1CA9MAPTALDH1A1
SCHEMBL9852204 0.70 MEN1 (0.60) CA2CA1CA9MAPTALDH1A1
SCHEMBL4126086 0.70 MEN1 (0.60) CA2CA1CA9MAPTALDH1A1
SCHEMBL18179825 0.70 MEN1 (0.60) CA2CA1CA9MAPTALDH1A1
Iodide SCHEMBL22068772 0.69 CA2 (0.59) CA2CA1CA9MAPTALDH1A1
SCHEMBL28905175 0.68 CA1 (0.47) CA2CA1CA9ALDH1A1MEN1
SCHEMBL22494208 0.67
SCHEMBL936809 0.67 CA2 (0.67) CA2CA1CA9MAPTALDH1A1

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
JP-5004976-A None JP disclosed
JP-4297464-A None JP disclosed
JP-H054976-A TRIAZOLE DERIVATIVE, ITS PRODUCTION AND HERBICIDE NISSAN CHEM IND LTD 1993-01-14 JP disclosed
JP-H04297464-A CARBAMOYLTRIAZOLE DERIVATIVE AND HERBICIDE COMPRISING THE SAME DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI PETROCHEM CO LTD 1992-10-21 JP disclosed