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SCHEMBL18099059

SCHEMBL18099059

COc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)cc1/C=N/O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.33
▸ KCNH2 Q12809 4/20 0.32
▸ NTRK1 P04629 3/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ HPSE Q9Y251 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
SCHEMBL2743621 0.88 MAOA (0.33) MAOAMAOBSCN5A
SCHEMBL18099065 0.88 MAOA (0.33) MAOAMAOBSCN5A
SCHEMBL4549496 0.88 MAOA (0.33) MAOAMAOBSCN5A
SCHEMBL18099027 0.87 IDH1 (0.31) —
SCHEMBL18098951 0.86 — —
SCHEMBL18098846 0.86 MAPK7 (0.30) MAOAMAOB
SCHEMBL18099088 0.86 — —
SCHEMBL18098968 0.85 — —
SCHEMBL18098890 0.82 CXCR2 (0.32) MAOAMAOB
SCHEMBL18098919 0.82 — —

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