SCHEMBL825871

SCHEMBL825871

CN(C)c1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 6/20 0.67
POLB P06746 4/20 0.67
ALDH1A1 P00352 4/20 0.67
NPC1 O15118 4/20 0.67
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 2/20 0.67
RECQL P46063 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
IDO1 P14902 1/20 0.67
CASP6 P55212 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
TDP1 Q9NUW8 3/20 0.65
USP2 O75604 1/20 0.65
MITF O75030 1/20 0.62
MYC P01106 1/20 0.56
MPL P40238 1/20 0.56
CYP1A2 P05177 1/20 0.52
NQO2 P16083 1/20 0.50

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
SCHEMBL29582683 0.88 MEN1 (0.78) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL343951 0.88 MEN1 (0.78) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL343952 0.88 MEN1 (0.78) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14951043 0.87 MAPT (0.51) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL11318747 0.87 MEN1 (0.66) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL11318750 0.87 MEN1 (0.66) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL9577924 0.87 MEN1 (0.76) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL29355358 0.87 MEN1 (0.76) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5351787 0.86 MEN1 (0.71) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5351789 0.86 MEN1 (0.71) MEN1KMT2AMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588144-B1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2018-05-09 EP disclosed
WO-2012003478-A2 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed