SCHEMBL2847865

SCHEMBL2847865

CC1=CC(=Nc2ccc(NCCN(CCO)CCO)cc2)C=CC1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NQO1 P15559 1/20 0.31
S1PR2 O95136 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL12997219 0.80 TP53 (0.32) MAPTTP53
SCHEMBL12997223 0.80
SCHEMBL12997296 0.78 NQO1 (0.31) NQO1
SCHEMBL12997244 0.74 ALDH1A1 (0.34) MAPTMAPK1MEN1KMT2ANQO1
SCHEMBL12997452 0.74 S100A4 (0.35) MAPTMAPK1MEN1KMT2ANQO1
SCHEMBL12997214 0.74 PABPC1 (0.34) MAPTMAPK1MEN1KMT2ANQO1
SCHEMBL12997218 0.73 PABPC1 (0.33)
SCHEMBL12997651 0.73 NQO1 (0.36) MAPTMAPK1MEN1KMT2ANQO1
SCHEMBL12997217 0.73
SCHEMBL12997465 0.72 KCNH2 (0.34) MAPTTHRBMAPK1KMT2AATM

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