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Sugi Predict / Compounds / SCHEMBL14032680

SCHEMBL14032680

SCHEMBL14032680

Cc1ccc(C(=O)NCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.66
▸ CA1 P00915 14/20 0.66
▸ CA2 P00918 14/20 0.66
▸ CA12 O43570 6/20 0.66
▸ CA14 Q9ULX7 2/20 0.66
▸ CA7 P43166 2/20 0.66
▸ BTK Q06187 4/20 0.62

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
SCHEMBL16158984 0.90 CA9 (0.81) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.89 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.89 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.89 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.88 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.88 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL14032781 0.88 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL24257626 0.87 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL15958213 0.87 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.87 CA9 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 — — US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 — — US disclosed
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