SCHEMBL14079923

SCHEMBL14079923

CNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)CCOSOOO)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.47
▸ CA12 O43570 17/20 0.47
▸ CA1 P00915 17/20 0.47
▸ CA2 P00918 17/20 0.47
▸ CA14 Q9ULX7 9/20 0.47
▸ CA5A P35218 3/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA13 Q8N1Q1 2/20 0.47
▸ CA5B Q9Y2D0 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ POLB P06746 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
SCHEMBL12052742 0.85 CA9 (0.45) CA9CA12CA1CA2CA14
SCHEMBL14004223 0.83 CA9 (0.41) CA9CA12CA1CA2CA14
SCHEMBL16348812 0.83 CA9 (0.50) CA9CA12CA1CA2CA14
SCHEMBL14004228 0.79 CHAT (0.40) CA9CA12CA1CA2CA14
SCHEMBL14079924 0.76 CA12 (0.33) CA9CA12CA1CA2
SCHEMBL12052744 0.76 CA1 (0.40) CA9CA12CA1CA2CA14
SCHEMBL12053234 0.76 FUT8 (0.40) CA9CA12CA1CA2CA14
SCHEMBL12053158 0.75 FUT8 (0.38) CA9CA12CA1CA2CA14
SCHEMBL14362759 0.75 FUT8 (0.36) CA9CA12CA1CA2CA14
SCHEMBL14010037 0.74 CA9 (0.43) CA9CA12CA1CA2CA14

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-7410594-B2 Trichromatic dyeing process and dye mixtures used therein CLARIANT FINANCE (BVI) LIMITED (VG) 2008-08-12 — — US disclosed
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