SCHEMBL9880643

SCHEMBL9880643

Cc1c(Cl)ncc(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
PDXK O00764 1/20 0.36
DAO P14920 1/20 0.33
TNF P01375 1/20 0.31

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
SCHEMBL15495385 0.81 PDXK (0.41) PDXKTNF
SCHEMBL18326515 0.81 PLAU (0.37) PLAUDAOTNF
SCHEMBL6664399 0.75 PLAU (0.44) PLAUDAO
SCHEMBL1701190 0.75 HSD17B10 (0.40) PLAUPDXK
SCHEMBL135431 0.75 HSD17B10 (0.40) PLAUPDXK
SCHEMBL26287526 0.73 KDM4E (0.42) PLAUPDXKDAOTNF
SCHEMBL1961170 0.71 PLAU (0.33) PLAUPDXK
SCHEMBL16972785 0.70 PLAU (0.48) PLAUDAO
SCHEMBL23088450 0.70 ALDH1A1 (0.44)
SCHEMBL28793349 0.68 PLAU (0.42) PLAUDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643312-B1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 EP disclosed
US-8748431-B2 Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG (CH) 2014-06-10 US disclosed
US-8748431-B2 Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG (CH) 2014-06-10 US disclosed
WO-2012069633-A1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed