SCHEMBL8220548

SCHEMBL8220548

N#Cc1cncc(CON=C2CCN(Sc3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.36
FNTB P49356 5/20 0.36
FNTA P49354 4/20 0.36
PGGT1B P53609 3/20 0.36
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 1/20 0.33
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH1 P35367 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL4380271 0.83 MEN1 (0.42) ABL1CCR5GPR6
SCHEMBL4388230 0.70 MEN1 (0.46) SMN1; SMN2MAOBGPR6
SCHEMBL4383840 0.69 MEN1 (0.46) SMN1; SMN2GPR6
SCHEMBL22035962 0.67 ALDH1A1 (0.55) CYP2C19SMN1; SMN2
SCHEMBL4383832 0.66 MEN1 (0.43) CYP2C19SMN1; SMN2GPR6
SCHEMBL8219942 0.65 ALDH1A1 (0.37)
SCHEMBL4380261 0.65 MEN1 (0.42) GPR6
SCHEMBL4385346 0.64 MEN1 (0.43) CYP2C19SMN1; SMN2GPR6
SCHEMBL14774922 0.63 EPHX2 (0.47)
SCHEMBL8225083 0.61 MET (0.46) MAOB

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