SCHEMBL14079962

SCHEMBL14079962

CCCS(=O)(=O)c1ccc(Nc2nc(C)nc(Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 14/20 0.52
▸ CA1 P00915 13/20 0.52
▸ CA2 P00918 13/20 0.52
▸ CA12 O43570 11/20 0.52
▸ CA14 Q9ULX7 5/20 0.52
▸ CDK2 P24941 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CA5A P35218 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CMA1 P23946 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
SCHEMBL14079904 0.84 CA9 (0.47) CA9CA1CA2CA12CA14
SCHEMBL14087147 0.82 CA9 (0.45) CA9CA1CA2CA12CA14
SCHEMBL18475607 0.81 CA9 (0.80) CA9CA1CA2CA12CA14
SCHEMBL10057478 0.81 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL14079903 0.80 CA9 (0.47) CA9CA1CA2CA12CA14
SCHEMBL13292129 0.78 CA9 (0.55) CA9CA1CA2CA12CA14
SCHEMBL14536534 0.76 CA9 (0.43) CA9CA1CA2CA12CA14
SCHEMBL4572354 0.75 NPC1 (0.66) MEN1MAPTCACNA1BAPBA1KMT2A
SCHEMBL29072468 0.75 MEN1 (0.53) CA9CA1CA2CA12CA14
SCHEMBL12147044 0.74 CA9 (0.56) 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-7410594-B2 Trichromatic dyeing process and dye mixtures used therein CLARIANT FINANCE (BVI) LIMITED (VG) 2008-08-12 — — US disclosed
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