SCHEMBL6164582

SCHEMBL6164582

COC(=O)c1nc(-c2cc(C(F)F)cc(C(F)F)c2)cc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.38
KDM4E B2RXH2 6/20 0.37
PKM P14618 3/20 0.37
RCE1 Q9Y256 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
CFTR P13569 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL2469753 0.83 NQO2 (0.40) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL2466461 0.81 KDM4E (0.45) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL16075504 0.80 KDM4E (0.38) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL2467012 0.80 CFTR (0.43) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL16075402 0.80 PTGES (0.40) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2464532 0.80 SMN1; SMN2 (0.48) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL2468427 0.79 ALDH1A1 (0.50) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL2469806 0.79 KDM4E (0.54) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL16776820 0.79 NQO2 (0.42) NQO2KDM4EPKMRCE1SMN1; SMN2
SCHEMBL2464586 0.78 KDM4E (0.41) NQO2KDM4EPKMRCE1SMN1; SMN2

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-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed