SCHEMBL8611666

SCHEMBL8611666

N#Cc1ccccc1Oc1ccnc([O])n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
PIN1 Q13526 2/20 0.42
GCK P35557 1/20 0.40
MAPK14 Q16539 3/20 0.38
CYP3A4 P08684 1/20 0.38
SYK P43405 1/20 0.37
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPK1 P28482 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL7108791 0.76 MAP4K4 (0.52) MAP4K4GAAPOLBPIN1GCK
SCHEMBL28100319 0.75 MAPK14 (0.49) MAP4K4GAAPOLBPIN1GCK
SCHEMBL3848429 0.73 MAP4K4 (0.43) MAP4K4GAAPOLBPIN1GCK
SCHEMBL28629538 0.73 MAP4K4 (0.44) MAP4K4GAAPOLBPIN1GCK
SCHEMBL28627153 0.73 MAP4K4 (0.44) MAP4K4GAAPOLBPIN1GCK
SCHEMBL7173106 0.73 MAP4K4 (0.50) MAP4K4GAAPOLBPIN1MAPK14
SCHEMBL24507690 0.72 MAP4K4 (0.56) MAP4K4GAAPOLBPIN1GCK
SCHEMBL29090763 0.72 MAP4K4 (0.52) MAP4K4GAAPOLBPIN1GCK
SCHEMBL21484222 0.72 MAP4K4 (0.56) MAP4K4GAAPOLBPIN1GCK
SCHEMBL7054403 0.72 GAA (0.64) MAP4K4GAAPOLBPIN1GCK

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
US-5726343-A REACTION OF A BORONIC ACID COMPOUND WITH A METHOXYIMINOACETIC ESTER, INSECTICIDES, MICROBIOCIDES NOVARTIS CORPORATION (US) 1998-03-10 US claimed