SCHEMBL13020947

SCHEMBL13020947

NC1=CC(=O)C(Nc2ccc(NCCC[N+]([O-])(CCO)CCO)cc2)=C/C1=N\c1ccc(NCCC[N+]([O-])(CCO)CCO)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL13020943 0.94 DNM1 (0.32) DNM1CA12CA1CA2CA9
SCHEMBL13020948 0.89 DNM1 (0.34) DNM1
SCHEMBL20280481 0.84 DNM1 (0.31) DNM1
SCHEMBL13020942 0.82 DNM1 (0.35) DNM1
SCHEMBL20280577 0.81 — —
SCHEMBL29423364 0.81 — —
SCHEMBL24349146 0.80 WEE1 (0.32) —
SCHEMBL13024095 0.80 — —
SCHEMBL13020977 0.80 APAF1 (0.32) —
SCHEMBL13020971 0.80 DNM1 (0.40) DNM1CA12CA1CA2CA9

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
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 — — WO disclosed
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