SCHEMBL8705462

SCHEMBL8705462

O=C(NS(=O)(=O)c1ccccc1)C(Cc1cccc(OC(F)(F)F)c1)c1ccc2nsnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KAT6A Q92794 2/20 0.42
TP53 P04637 1/20 0.41
NAMPT P43490 2/20 0.40
PPARG P37231 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
FBP1 P09467 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ACP1 P24666 1/20 0.38
PKLR P30613 1/20 0.38
MAPK14 Q16539 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8709039 0.93 BCL9 (0.40) MAPTSMN1; SMN2KAT6ATP53NAMPT
SCHEMBL8709884 0.92 MAPT (0.41) MAPTSMN1; SMN2TP53NAMPTPPARG
SCHEMBL8709447 0.86 ITGB3 (0.48) MAPTSMN1; SMN2MMP2MMP9ITGB3
SCHEMBL8709683 0.85 ITGB3 (0.43) MAPTITGB3ITGAVPKLRMEN1
SCHEMBL8712032 0.84 SLC7A5 (0.43) MAPTSMN1; SMN2KAT6ANAMPTITGB3
SCHEMBL8706028 0.84 MAPT (0.41) MAPTSMN1; SMN2ITGB3ITGAVMEN1
SCHEMBL8714137 0.84 TARS1 (0.45) MAPTMMP2MMP9ITGB3ITGAV
SCHEMBL8705122 0.83 HTR6 (0.45) MAPTITGB3ITGAVPKLRMEN1
SCHEMBL8709162 0.83 MAPT (0.45) MAPTSMN1; SMN2TP53MMP2MMP9
SCHEMBL8711019 0.82 MAPT (0.43) MAPTSMN1; SMN2NAMPTMEN1ALDH1A1

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-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed