SCHEMBL13020972

SCHEMBL13020972

CC1=C/C(=N\c2ccc(NCCC[N+]([O-])(CCO)CCO)cc2)C(NCCO)=CC1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL13022278 0.94 TP53 (0.31) —
SCHEMBL13020957 0.94 TP53 (0.31) —
SCHEMBL3478159 0.94 TP53 (0.31) —
SCHEMBL13808755 0.89 CYP1A2 (0.32) CYP1A2
SCHEMBL13021556 0.87 TP53 (0.30) —
SCHEMBL12997452 0.83 S100A4 (0.35) —
SCHEMBL12997219 0.80 TP53 (0.32) —
SCHEMBL13808735 0.80 MALT1 (0.41) —
SCHEMBL12997465 0.79 KCNH2 (0.34) —
SCHEMBL4010569 0.78 TP53 (0.36) —

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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