SCHEMBL8953797

SCHEMBL8953797

CC(=O)N(C)c1ccc(CSc2cccc(/C(=N\O)C3CCOCC3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.33
PIP5K1C O60331 1/20 0.33
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR2 P41597 5/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ITK Q08881 1/20 0.31
GAA P10253 1/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 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
SCHEMBL8953688 1.00 SIRT2 (0.33) SIRT2PIP5K1CALOX5SMN1; SMN2LMNA
SCHEMBL8953605 0.88 SIRT2 (0.37) SIRT2PIP5K1CALOX5SMN1; SMN2LMNA
SCHEMBL8953842 0.87 ALOX5 (0.35) PIP5K1CALOX5SMN1; SMN2
SCHEMBL8953770 0.86 ALOX5 (0.41) PIP5K1CALOX5LMNAMAPTKDM4E
SCHEMBL8953794 0.83 PPARA (0.38) PIP5K1CSMN1; SMN2LMNAHTTRAB9A
SCHEMBL8953777 0.81 MAOB (0.43) RAB9AKMT2AGAA
SCHEMBL8953702 0.81 MAOB (0.43) RAB9AKMT2AGAA
SCHEMBL8953684 0.77 MTNR1A (0.34) ALOX5SMN1; SMN2RAB9AL3MBTL1CCR2
SCHEMBL8953680 0.77 MTNR1A (0.34) ALOX5SMN1; SMN2RAB9AL3MBTL1CCR2
SCHEMBL8953786 0.74 ALOX5 (0.44) PIP5K1CALOX5MAPTKDM4EMEN1

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
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed