SCHEMBL365064

SCHEMBL365064

C/C(=N/O)[C@@](c1ccc(N2CCOCC2)cc1)(c1ccnc(C)c1)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
MAPT P10636 8/20 0.37
NPC1 O15118 3/20 0.37
GAA P10253 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HCRTR1 O43613 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CTSA P10619 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL362833 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL362313 0.86 ITGB2 (0.33) BRD4
SCHEMBL362885 0.84
SCHEMBL363704 0.83
SCHEMBL364180 0.83 GPBAR1 (0.35)
SCHEMBL364263 0.82 GPBAR1 (0.31)
SCHEMBL363805 0.82 GPBAR1 (0.31)
SCHEMBL364539 0.81 POLB (0.32)
SCHEMBL364836 0.81 POLB (0.32)
SCHEMBL364217 0.79 GPBAR1 (0.30)

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed