SCHEMBL13482732

SCHEMBL13482732

CCN(C)c1nc(Cl)nc(Nc2ccc(N=Nc3c(N)ccc4cc(SOOO)cc(O)c34)c(SOOO)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ APEX1 P27695 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL14013107 0.90 ENPP2 (0.36) APEX1ENPP2
SCHEMBL14013106 0.82 CA12 (0.34) CA12CA1CA2CA9ENPP2
SCHEMBL13482731 0.82 ENPP2 (0.32) CA12CA1CA2CA9APEX1
SCHEMBL14013096 0.81 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL13998608 0.81 ENPP2 (0.38) CA12CA1CA2CA9APEX1
SCHEMBL14013089 0.81 FUT8 (0.32) —
SCHEMBL13483311 0.77 ENPP2 (0.58) CA12CA1CA2CA9APEX1
SCHEMBL14444808 0.77 APEX1 (0.30) APEX1
SCHEMBL13998604 0.75 ENPP2 (0.35) CA12CA1CA2CA9APEX1
SCHEMBL13482730 0.74 CA12 (0.30) CA12CA1CA2CA9

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-7666232-B2 Triazine dyes; reproducibility, leveling, washing off and toughness; mixture with yellow reactive dye comprising Color Index (C.I.) Reactive Yellow 145 and/or C.I. Reactive Yellow 176; and blue reactive dye selected from C.I. Reactive Blue 194, C.I. Reactive Blue 221 and C.I. Reactive Blue 222 EVERLIGHT USA, INC. (US) 2010-02-23 — — US disclosed
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