SCHEMBL12856563

SCHEMBL12856563

Cc1c(/N=N/c2cccc3c2C(=O)c2ccccc2C3=O)c(O)n(CCCC(=O)OCC(=O)c2ccccc2)c(=O)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
THRB P10828 1/20 0.33
PHGDH O43175 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PABPC1 P11940 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32

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
SCHEMBL1139524 0.87 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1139520 0.87 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15586796 0.83 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15586780 0.81 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12583500 0.81 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL12856596 0.80 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15586833 0.79 MAPT (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12866133 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13801865 0.78 MAPT (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12583506 0.77 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110030153-A1 AZOPYRIDONE DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-02-10 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