SCHEMBL18098906

SCHEMBL18098906

CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O/N=C(\C)c2cccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)c2)[C@@H]1OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.34
BCR P11274 3/20 0.32
TP53 P04637 1/20 0.32
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
DYRK1A Q13627 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
GRM5 P41594 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
SCHEMBL18098907 0.92 MAOA (0.33) IDH1KDM4EMAPTMAPK1GPR119
SCHEMBL18098979 0.88 ABL1 (0.33) ABL1
SCHEMBL18098971 0.87 RIPK2 (0.36) ABL1
SCHEMBL18099088 0.84
SCHEMBL18099095 0.84
SCHEMBL18099002 0.82 RIPK2 (0.36)
SCHEMBL4549496 0.80 MAOA (0.33) KDM4EMAPTMAPK1
SCHEMBL18099065 0.80 MAOA (0.33) KDM4EMAPTMAPK1
SCHEMBL2743621 0.80 MAOA (0.33) KDM4EMAPTMAPK1
SCHEMBL18098980 0.79

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-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed