SCHEMBL4055382

SCHEMBL4055382

CN(C)/C=C/C(=O)c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 6/20 0.60
HTT P42858 5/20 0.60
GAA P10253 3/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
RECQL P46063 2/20 0.57
RAB9A P51151 4/20 0.55
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4055383 1.00 ALDH1A1 (0.60) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4049726 0.84 MAPT (0.52) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4049720 0.84 MAPT (0.52) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4052733 0.83 MAPT (0.57) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4052735 0.83 MAPT (0.57) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL5946453 0.82 MAPT (0.77) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4053914 0.80 ALDH1A1 (0.48) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL4053916 0.80 ALDH1A1 (0.48) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL1880405 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL1880407 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD

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-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed