SCHEMBL15061809

SCHEMBL15061809

O=C(NC(O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.47
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGES O14684 1/20 0.42
HPGD P15428 2/20 0.42
POLQ O75417 1/20 0.42

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
SCHEMBL18335147 0.88 GLA (0.46) GLAPOLBKDM4EGAAKMT2A
SCHEMBL4421072 0.87 GLA (0.47) GLAPOLBKDM4EGAAKMT2A
SCHEMBL4418292 0.87 GLA (0.45) GLAPOLBKDM4EGAAKMT2A
SCHEMBL15049328 0.86 KMT2A (0.44) GLAPOLBKDM4EGAAKMT2A
SCHEMBL14921059 0.86 GAA (0.44) GLAPOLBKDM4EGAAKMT2A
SCHEMBL5200375 0.82 GLA (0.53) GLAPOLBKDM4EGAAKMT2A
Fluopyram SCHEMBL67230 0.81 GLA (0.59) GLAPOLBKDM4EGAAKMT2A
Fluopyram SCHEMBL29353266 0.81 GLA (0.59) GLAPOLBKDM4EGAAKMT2A
SCHEMBL3781264 0.79 GLA (0.54) GLAPOLBKDM4EGAAKMT2A
SCHEMBL14920831 0.78 SORT1 (0.65) POLBKDM4EGAAKMT2AMEN1

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-2606728-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed