SCHEMBL6824792

SCHEMBL6824792

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.74
CA12 O43570 15/20 0.74
CA1 P00915 10/20 0.73
APEX1 P27695 1/20 0.64
CA2 P00918 2/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
ABCC2 Q92887 1/20 0.61
SLC22A12 Q96S37 1/20 0.61
UGT1A7 Q9HAW7 1/20 0.61
SLC22A11 Q9NSA0 1/20 0.61

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
SCHEMBL6821696 0.92 CA9 (0.64) CA9CA12CA1APEX1CA2
SCHEMBL6825234 0.86 CA9 (0.66) CA9CA12CA1CA2RAB9A
SCHEMBL6349448 0.84 CA9 (0.67) CA9CA12CA1CA2RAB9A
SCHEMBL6821697 0.81 CA12 (0.61) CA9CA12CA1
SCHEMBL17947763 0.81 CA9 (0.90) CA9CA12CA1CA2RAB9A
SCHEMBL6827172 0.78 CA12 (0.63) CA9CA12CA1RAB9ASMN1; SMN2
Probenecid SCHEMBL1034640 0.77 CA9 (1.00) CA9CA12CA1CA2RAB9A
Probenecid SCHEMBL3663 0.77 CA9 (1.00) CA9CA12CA1CA2RAB9A
SCHEMBL2028671 0.77 DHODH (0.86) CA12CA1RAB9ASMN1; SMN2
SCHEMBL6825144 0.77 CA9 (0.72) CA9CA12CA1CA2

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-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 WO disclosed