SCHEMBL8570374

SCHEMBL8570374

CNC(=O)CCn1c(=O)oc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.71
ALDH1A1 P00352 4/20 0.71
MAPT P10636 3/20 0.71
HSD17B10 Q99714 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.69
RECQL P46063 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
CYP2C19 P33261 2/20 0.67
TP53 P04637 2/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
PKM P14618 1/20 0.66
POLB P06746 2/20 0.62
CASP1 P29466 1/20 0.62
HTT P42858 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
HPGD P15428 1/20 0.60

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
SCHEMBL4427310 0.85 LMNA (0.71) L3MBTL1CYP2C19TP53KMT2AMEN1
SCHEMBL23182640 0.84 MAPK1 (0.73) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL10443548 0.83 MAPK1 (0.68) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL2008321 0.82 MAPK1 (0.75) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
Benzene SCHEMBL7861838 0.82 MAPK1 (0.75) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL5717757 0.81 MAPK1 (1.00) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL8570807 0.80 ALDH1A1 (0.73) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL8570808 0.80 RECQL (0.55) MAPK1ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL9690227 0.79 ALDH1A1 (0.66) MAPK1ALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL5547223 0.78 ALDH1A1 (0.69) MAPK1ALDH1A1MAPTHSD17B10SMN1; 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 disclosed