SCHEMBL14079903

SCHEMBL14079903

CCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(C)c(NC(N)=O)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.47
▸ CA12 O43570 15/20 0.47
▸ CA1 P00915 15/20 0.47
▸ CA2 P00918 15/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ CA14 Q9ULX7 6/20 0.45
▸ CA5A P35218 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL14079900 0.92 CA12 (0.47) CA9CA12CA1CA2MEN1
SCHEMBL14079919 0.81 CA12 (0.44) CA9CA12CA1CA2MEN1
SCHEMBL14079962 0.80 CA9 (0.52) CA9CA12CA1CA2MEN1
SCHEMBL10493822 0.72 KMT2A (0.55) CA9CA12CA1CA2MEN1
SCHEMBL14012040 0.69 PRMT1 (0.58) CA9CA12CA1CA2CA14
SCHEMBL14079904 0.68 CA9 (0.47) CA9CA12CA1CA2MEN1
SCHEMBL24019211 0.68 CHAT (0.52) CA9CA12CA1CA2MEN1
SCHEMBL17323140 0.68 CA12 (0.65) CA9CA12CA1CA2MEN1
SCHEMBL15985989 0.68 CA9 (0.48) CA9CA12CA1CA2MEN1
SCHEMBL13880739 0.67 CA9 (0.52) CA9CA12CA1CA2MEN1

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-7410594-B2 Trichromatic dyeing process and dye mixtures used therein CLARIANT FINANCE (BVI) LIMITED (VG) 2008-08-12 — — US disclosed
US-20080104776-A1 Bichromatic and/or trichromatic azo dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-08 — — US disclosed
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