SCHEMBL14079900

SCHEMBL14079900

CCCS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(C)c(NC(N)=O)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 9/20 0.47
▸ CA1 P00915 9/20 0.47
▸ CA2 P00918 9/20 0.47
▸ CA9 Q16790 9/20 0.47
▸ P2RY2 P41231 1/20 0.42
▸ P2RY4 P51582 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RY13 Q9BPV8 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ CHAT P28329 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ LYN P07948 2/20 0.39

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
SCHEMBL14079903 0.92 CA9 (0.47) CA12CA1CA2CA9P2RY4
SCHEMBL14079919 0.89 CA12 (0.44) CA12CA1CA2CA9P2RY2
SCHEMBL19213909 0.73 CHAT (0.37) CA12CA1CA2CA9P2RY2
SCHEMBL10078961 0.71 CA12 (0.45) CA12CA1CA2CA9CHAT
SCHEMBL13880709 0.71 FUT8 (0.42) CA12CA1CA2CA9P2RY2
SCHEMBL14546760 0.71 CA12 (0.48) CA12CA1CA2CA9P2RY2
SCHEMBL14079962 0.71 CA9 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL28606272 0.70 P2RY2 (0.40) CA12CA1CA2CA9P2RY2
SCHEMBL22375835 0.69 CA9 (0.49) CA12CA1CA2CA9CHAT
SCHEMBL12589915 0.68 NFKB1 (0.54) CA12CA1CA2CA9CHAT

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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