SCHEMBL12997294

SCHEMBL12997294

CC1=C(O)/C(=N/c2ccc(NCCN(CCO)CCO)cc2)C=C(Nc2ccc(NCCN(CCO)CCO)cc2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NQO1 P15559 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL12997240 0.95 NQO1 (0.36) APAF1L3MBTL1NQO1ALDH1A1LMNA
SCHEMBL12997220 0.91 CA1 (0.39) APAF1L3MBTL1ALDH1A1MEN1NPC1
SCHEMBL12332660 0.86 SMN1; SMN2 (0.36) APAF1L3MBTL1KDM4ETDP2ALDH1A1
SCHEMBL1146949 0.84 PABPC1 (0.34) APAF1L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL1146947 0.84 PABPC1 (0.34) APAF1L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL13020967 0.84 APAF1 (0.32) APAF1L3MBTL1MEN1NPC1POLB
SCHEMBL12997216 0.82 DNM1 (0.37) NQO1
SCHEMBL12332898 0.81 BRCA1 (0.32) APAF1L3MBTL1LMNAMAPK1
SCHEMBL12997296 0.81 NQO1 (0.31) NQO1
SCHEMBL13022286 0.80 APAF1 (0.33) APAF1L3MBTL1MEN1NPC1POLB

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