SCHEMBL9939459

SCHEMBL9939459

Nc1cc(Br)nc(OC(=O)O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
NQO2 P16083 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
SCHEMBL27543750 0.85 NQO2 (0.33) CYP3A4NQO2
SCHEMBL4456236 0.83 CYP3A4 (0.38) CYP3A4NQO2
SCHEMBL2713537 0.83 NQO2 (0.37) CYP3A4NQO2
SCHEMBL2470000 0.76 ACHE (0.45)
SCHEMBL2468160 0.75 CTRC (0.46)
SCHEMBL2465756 0.75 POLB (0.38) CYP3A4
SCHEMBL2466332 0.74 MAPT (0.44) CYP3A4
SCHEMBL2348206 0.74 TDP1 (0.47) CYP3A4NQO2
SCHEMBL2722243 0.74 KDM4E (0.35)
SCHEMBL2466883 0.73 DHODH (0.44)

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
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed