SCHEMBL10169972

SCHEMBL10169972

C=C1C(C)C(C)C(=O)N1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.51
CA2 P00918 14/20 0.51
CA9 Q16790 13/20 0.51
CA12 O43570 12/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA7 P43166 2/20 0.49
SCN2A Q99250 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA4 P22748 1/20 0.46
MT-CO2 P00403 3/20 0.41
ALOX5 P09917 3/20 0.41

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
SCHEMBL9923580 0.89 CA1 (0.63) CA1CA2CA9CA12POLB
SCHEMBL12367662 0.77 MAPK1 (0.46) POLBALDH1A1TDP1
SCHEMBL30885628 0.74 CA2 (0.50) CA1CA2CA9CA12POLB
SCHEMBL2740708 0.71 CA1 (0.42) CA1CA2CA9CA12POLB
SCHEMBL13753295 0.71 RAB9A (0.53)
SCHEMBL1957622 0.70 CA2 (0.76) CA1CA2CA9CA12POLB
SCHEMBL19434097 0.69 CA1 (0.61) CA1CA2CA9CA12POLB
SCHEMBL1632277 0.69 CA1 (0.63) CA1CA2CA9CA12POLB
SCHEMBL3187957 0.68 CA2 (1.00) CA1CA2CA9CA12POLB
SCHEMBL20118874 0.68 CA2 (0.71) CA1CA2CA9CA12POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed