SCHEMBL7565070

SCHEMBL7565070

COc1ccc(Nc2nc(C)cc(C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
SLC2A1 P11166 2/20 0.63
KDM4E B2RXH2 3/20 0.61
HPGD P15428 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
RAB9A P51151 7/20 0.59
KCNH3 Q9ULD8 1/20 0.58
NPC1 O15118 6/20 0.58
NPSR1 Q6W5P4 3/20 0.57
MAPK1 P28482 3/20 0.57
RECQL P46063 2/20 0.57
THRB P10828 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4D Q08499 1/20 0.57

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
SCHEMBL13531567 0.90 SLC2A1 (0.78) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL20355072 0.89 RAB9A (0.60) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL11812041 0.86 MAPT (0.81) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4544853 0.83 MAPT (0.71) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL10073749 0.82 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL2409981 0.81 MAPT (0.68) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL10879621 0.81 MAPT (0.64) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL14618917 0.81 MEN1 (0.71) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL22628619 0.80 RAB9A (0.65) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL13531371 0.80 SLC2A1 (0.68) MAPTMEN1KMT2AL3MBTL1GAA

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
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed