SCHEMBL15062937

SCHEMBL15062937

C[N+](C)(C)CCCNc1ccc(/N=C2\N=C(N)C(=O)C=C2Nc2ccc(NCCC[N+](C)(C)C)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 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
SCHEMBL497045 1.00 CYP1A2 (0.30) CYP1A2
SCHEMBL13811393 0.87 MAPT (0.30) —
SCHEMBL13024095 0.85 — —
SCHEMBL496921 0.85 — —
SCHEMBL15062878 0.85 — —
SCHEMBL13811394 0.81 — —
SCHEMBL12997236 0.81 NQO1 (0.32) —
SCHEMBL12997213 0.81 CA1 (0.39) —
SCHEMBL13020965 0.81 — —
SCHEMBL10024643 0.79 MAPT (0.43) —

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
EP-2231607-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-AMINO-3-HYDROXYPYRIDINE, AND HAIR DYEING PROCESS USING THESE DYES AND PRECURSORS OREAL (FR) 2013-07-03 — — EP claimed
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