SCHEMBL12997296

SCHEMBL12997296

CC1=C(O)/C(=N/c2ccc(NCCN(CCO)CCO)cc2)C=CC1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 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
SCHEMBL12997651 0.94 NQO1 (0.36) NQO1
SCHEMBL12997211 0.90 CHEK1 (0.36)
SCHEMBL12997294 0.81 APAF1 (0.31) NQO1
SCHEMBL12997214 0.80 PABPC1 (0.34) NQO1
SCHEMBL13024146 0.79
SCHEMBL13020975 0.78
SCHEMBL2847865 0.78 KDM4E (0.32) NQO1
SCHEMBL12997218 0.77 PABPC1 (0.33)
SCHEMBL12997223 0.76
SCHEMBL12997219 0.76 TP53 (0.32)

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-2010142777-A1 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