SCHEMBL8570807

SCHEMBL8570807

CN(C)C(=O)CCn1c(=O)oc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
L3MBTL1 Q9Y468 3/20 0.69
POLB P06746 2/20 0.69
MAPK1 P28482 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPT P10636 3/20 0.64
HSD17B10 Q99714 2/20 0.64
RECQL P46063 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TP53 P04637 2/20 0.63
NPSR1 Q6W5P4 1/20 0.59
CYP2C19 P33261 2/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL4412650 0.85 HPGD (0.66) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL23182640 0.84 MAPK1 (0.73) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
Benzene SCHEMBL7861838 0.82 MAPK1 (0.75) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL2008321 0.82 MAPK1 (0.75) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL5717757 0.81 MAPK1 (1.00) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL3044729 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL10443548 0.80 MAPK1 (0.68) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL8570374 0.80 MAPK1 (0.71) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL11450079 0.80 POLB (0.58) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2
SCHEMBL22284070 0.79 ALDH1A1 (0.66) ALDH1A1L3MBTL1POLBMAPK1SMN1; SMN2

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed