SCHEMBL13083473

SCHEMBL13083473

CC(C)C(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(N=O)ccc23)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.55
▸ CA1 P00915 15/20 0.55
▸ CA2 P00918 15/20 0.55
▸ CA12 O43570 6/20 0.53
▸ CA14 Q9ULX7 2/20 0.50
▸ CA7 P43166 2/20 0.49
▸ USP2 O75604 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ELF3 P78545 1/20 0.45
▸ MED23 Q9ULK4 1/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ KDM4A O75164 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45

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
SCHEMBL18773696 0.90 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL12060571 0.88 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL14620250 0.84 CA9 (0.54) CA9CA1CA2CA12CA14
SCHEMBL23205535 0.82 DNASE1L3 (0.63) CA9CA1CA2CA12CA14
SCHEMBL21128728 0.81 CA9 (0.67) CA9CA1CA2CA12CA14
SCHEMBL23762521 0.79 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL14847588 0.79 USP2 (0.56) CA9CA1CA2CA12CA14
SCHEMBL17243936 0.78 DNASE1L3 (0.70) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.78 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL18470198 0.78 CA9 (0.72) CA9CA1CA2CA12CA14

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
EP-2508531-A1 Stitched polypeptides President and Fellows of Harvard College (US) 2012-10-10 — — EP disclosed
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