SCHEMBL18773696

SCHEMBL18773696

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.57
▸ CA1 P00915 16/20 0.57
▸ CA2 P00918 16/20 0.57
▸ CA12 O43570 7/20 0.55
▸ CA14 Q9ULX7 3/20 0.52
▸ USP2 O75604 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA7 P43166 2/20 0.51
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47

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
SCHEMBL13083473 0.90 CA9 (0.55) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.88 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL14620250 0.86 CA9 (0.54) CA9CA1CA2CA12CA14
SCHEMBL17974603 0.81 DNASE1L3 (0.66) CA9CA1CA2CA12CA14
SCHEMBL14847588 0.81 USP2 (0.56) CA9CA1CA2CA12CA14
SCHEMBL17243936 0.80 DNASE1L3 (0.70) CA9CA1CA2CA12CA14
SCHEMBL12060447 0.80 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL10014172 0.80 CA9 (0.56) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.80 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.79 CA9 (0.75) 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-3159352-A1 STITCHED POLYPEPTIDES President and Fellows of Harvard College (US) 2017-04-26 — — EP disclosed
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