SCHEMBL7586504

SCHEMBL7586504

[CH2]c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
DCK P27707 1/20 0.41
ACHE P22303 1/20 0.40
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
PIN1 Q13526 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GCK P35557 1/20 0.34
MAPK14 Q16539 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
SCHEMBL24507690 0.91 MAP4K4 (0.56) MAP4K4POLBGAADCKACHE
SCHEMBL26714156 0.84 POLB (0.54) MAP4K4POLBGAADCKACHE
SCHEMBL10073931 0.82 MAP4K4 (0.55) MAP4K4POLBGAADCKACHE
SCHEMBL7586510 0.82 AR (0.52) MAP4K4POLBGAADCKACHE
SCHEMBL7807009 0.82 GAA (0.53) MAP4K4POLBGAAPIN1LRRK2
SCHEMBL29390597 0.81 MAP4K4 (0.50) MAP4K4POLBGAADCKACHE
SCHEMBL30449029 0.81 MAP4K4 (0.50) MAP4K4POLBGAADCKACHE
SCHEMBL7173106 0.81 MAP4K4 (0.50) MAP4K4POLBGAADCKACHE
SCHEMBL16202033 0.81 MAP4K4 (0.50) MAP4K4POLBGAADCKACHE
SCHEMBL10049643 0.81 MAP4K4 (0.50) MAP4K4POLBGAADCKACHE

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