SCHEMBL17899006

SCHEMBL17899006

COc1ccnc(C(=O)N[C@H]2COCC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](C)OC2=O)c1OCOC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
NAAA Q02083 1/20 0.32
MERTK Q12866 2/20 0.31
AXL P30530 1/20 0.31
BRD4 O60885 1/20 0.31
RIPK1 Q13546 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
ADORA2A P29274 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL19091515 0.96 NAAA (0.33) LRRK2NAAAMERTKAXLBRD4
SCHEMBL17899008 0.94 NAAA (0.32) LRRK2NAAACNR1CNR2
SCHEMBL15373786 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL15373812 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL15373807 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL15616885 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL15373801 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL15373808 0.94 MERTK (0.35) LRRK2NAAAMERTKAXLCNR2
SCHEMBL19628476 0.92 MERTK (0.34) LRRK2NAAAMERTKAXLBRD4
SCHEMBL17898760 0.91 NAAA (0.33) LRRK2NAAAMERTKAXLCNR1

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
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed