SCHEMBL19788026

SCHEMBL19788026

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.62
▸ CA1 P00915 16/20 0.62
▸ CA2 P00918 16/20 0.62
▸ CA12 O43570 7/20 0.60
▸ CA14 Q9ULX7 3/20 0.57
▸ CA7 P43166 2/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48

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
SCHEMBL12231697 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL10014172 0.88 CA9 (0.56) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.87 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL19788027 0.86 CA1 (0.61) CA9CA1CA2CA12CA14
SCHEMBL17833665 0.85 MEN1 (0.49) CA9CA1CA2CA12CA14
SCHEMBL23169167 0.85 CA1 (0.77) CA9CA1CA2CA12CA14
SCHEMBL14089620 0.85 CA9 (0.55) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.84 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL13932610 0.83 CA9 (0.52) 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
US-9874562-B2 Zanamivir phosphonate congeners with anti-influenza activity and determining oseltamivir susceptibility of influenza viruses ACADEMIA SINICA (TW) 2018-01-23 — — US disclosed
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