SCHEMBL10068898

SCHEMBL10068898

CCC(C)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.74
CA1 P00915 14/20 0.74
CA12 O43570 8/20 0.74
CA9 Q16790 8/20 0.74
KMT2A Q03164 3/20 0.66
CA7 P43166 6/20 0.63
CA14 Q9ULX7 6/20 0.63
PTPN7 P35236 1/20 0.61
MEN1 O00255 1/20 0.58

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
SCHEMBL672750 0.85 CA2 (1.00) CA2CA1CA12CA9KMT2A
SCHEMBL1626262 0.84 ALDH1A1 (0.56) CA2CA1CA12CA9CA7
SCHEMBL15247285 0.84 ALDH1A1 (0.56) CA2CA1CA12CA9CA7
SCHEMBL9492114 0.83 ALDH1A1 (0.55) CA2CA1CA12CA9CA7
SCHEMBL28499329 0.81 KMT2A (1.00) CA2CA1CA12CA9KMT2A
SCHEMBL10068897 0.80 CA2 (0.64) CA2CA1CA12CA9KMT2A
SCHEMBL19445300 0.78 RAB9A (0.60) KMT2AMEN1
SCHEMBL9923561 0.78 CA1 (1.00) CA2CA1CA12CA9CA7
SCHEMBL6382778 0.77 TSHR (0.62) KMT2AMEN1
SCHEMBL9280164 0.77 PTPN7 (1.00) CA2CA1CA12CA9KMT2A

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
WO-2012021963-A1 NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH METASIGNAL THERAPEUTICS INC. (CA) 2012-02-23 WO disclosed