SCHEMBL4410979

SCHEMBL4410979

O=C(O)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NR4A2 P43354 2/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
IDO1 P14902 2/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
PDGFRA P16234 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
MAOB P27338 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
THRA P10827 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
SCHEMBL4380358 0.89 LMNA (0.51) MEN1KMT2ANR4A2MGLLMRGPRX4
SCHEMBL4388294 0.88 MEN1 (0.51) MEN1KMT2ANR4A2IDO1PRKCA
SCHEMBL4393140 0.87 NR4A2 (0.46) MEN1KMT2ANR4A2PRKCAPRKCD
SCHEMBL4395452 0.86 FAAH (0.63) MEN1KMT2AFAAHSMN1; SMN2LMNA
SCHEMBL4382642 0.86 TACR1 (0.48) MEN1KMT2ANR4A2IDO1PRKCA
SCHEMBL4379562 0.85 MEN1 (0.48) MEN1KMT2ANR4A2IDO1PRKCA
SCHEMBL4395320 0.85 RAB9A (0.53) MEN1KMT2APDGFRAS1PR1S1PR5
SCHEMBL13588940 0.85 DPP4 (0.46) MEN1KMT2AFFAR1FFAR4FAAH
SCHEMBL4382696 0.84 KMT2A (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4387904 0.84 MEN1 (0.47) MEN1KMT2ANR4A2IDO1PRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed