SCHEMBL18098907

SCHEMBL18098907

CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O/N=C(\C)c2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)[C@@H]1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAP4K4 O95819 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
F2RL3 Q96RI0 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KDM5A P29375 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
IDH1 O75874 2/20 0.30
MAPK7 Q13164 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
SCHEMBL18098906 0.92 ABL1 (0.34) KDM4EMAPTMAPK1GPR119IDH1
SCHEMBL18098979 0.89 ABL1 (0.33)
SCHEMBL18098971 0.88 RIPK2 (0.36)
SCHEMBL18099095 0.85
SCHEMBL2743621 0.84 MAOA (0.33) MAOAMAOBF2RL3CA12CA1
SCHEMBL4549496 0.84 MAOA (0.33) MAOAMAOBF2RL3CA12CA1
SCHEMBL18099065 0.84 MAOA (0.33) MAOAMAOBF2RL3CA12CA1
SCHEMBL2743568 0.83 MAP4K4 (0.38) MAP4K4ADORA3MAPTKDM5AKDM2B
SCHEMBL2743569 0.83 MAP4K4 (0.38) MAP4K4ADORA3MAPTKDM5AKDM2B
SCHEMBL18099002 0.83 RIPK2 (0.36)

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