SCHEMBL12866133

SCHEMBL12866133

COc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(CCCC(=O)OCC(=O)c3ccccc3)c2O)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CNR2 P34972 4/20 0.37
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNF P01375 1/20 0.35
AGTR1 P30556 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL12856596 0.92 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1138794 0.88 MAPT (0.39) ALDH1A1CNR2MAPTMEN1KMT2A
SCHEMBL1138792 0.88 MAPT (0.39) ALDH1A1CNR2MAPTMEN1KMT2A
SCHEMBL14115925 0.80 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12693449 0.80 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL15694956 0.80 MAPT (0.36) ALDH1A1CNR2MAPTMEN1KMT2A
SCHEMBL12693434 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12856563 0.78 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9816812 0.74 MAPT (0.34) ALDH1A1CNR2MAPTTDP1MEN1
SCHEMBL15694964 0.72 ALDH1A1 (0.35) ALDH1A1CNR2MAPTTDP1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096972-B2 Disperse dye mixtures, their preparation and use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-08-04 US disclosed
US-20140123407-A1 DISPERSE DYE MIXTURES, THEIR PREPARATION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2014-05-08 US disclosed
US-20110030153-A1 AZOPYRIDONE DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-02-10 US disclosed
WO-2009118260-A1 AZOPYRIDONE DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-10-01 WO disclosed