SCHEMBL27799515

SCHEMBL27799515

COC(=O)CCNC(=O)[C@H](Cc1ccccc1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.72
CA9 Q16790 7/20 0.72
CA1 P00915 6/20 0.72
CA5A P35218 5/20 0.72
CA5B Q9Y2D0 5/20 0.72
CA12 O43570 4/20 0.72
CA3 P07451 3/20 0.72
CA4 P22748 3/20 0.72
CA6 P23280 3/20 0.72
CA7 P43166 3/20 0.72
CA13 Q8N1Q1 3/20 0.72
CA14 Q9ULX7 3/20 0.72
PTGS2 P35354 7/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP3 P08254 1/20 0.42
MMP10 P09238 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL3739955 0.86 CA2 (0.73) CA2CA9CA1CA5ACA5B
SCHEMBL3739959 0.86 CA2 (0.73) CA2CA9CA1CA5ACA5B
SCHEMBL13012614 0.84 CA2 (0.62) CA2CA9CA1CA5ACA5B
SCHEMBL3737799 0.82 CA2 (0.67) CA2CA9CA1CA5ACA5B
SCHEMBL3737802 0.82 CA2 (0.67) CA2CA9CA1CA5ACA5B
SCHEMBL3733276 0.82 CA2 (0.67) CA2CA9CA1CA5ACA5B
SCHEMBL3733268 0.82 CA2 (0.67) CA2CA9CA1CA5ACA5B
SCHEMBL3735518 0.82 CA2 (0.64) CA2CA9CA1CA5ACA5B
SCHEMBL3735515 0.82 CA2 (0.64) CA2CA9CA1CA5ACA5B
SCHEMBL3732387 0.82 CA2 (0.65) CA2CA9CA1CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN claimed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN disclosed