SCHEMBL366999

SCHEMBL366999

CN(C)S(=O)(=O)c1ccc2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LOXL2 Q9Y4K0 4/20 0.39
DAO P14920 2/20 0.39
AOC3 Q16853 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 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
SCHEMBL366462 0.90 LMNA (0.46) EGFRLMNAHTTKDM4EALDH1A1
SCHEMBL364787 0.86 KMT2A (0.45) LMNAHTTKDM4EALDH1A1MEN1
SCHEMBL367707 0.85 EGFR (0.44) EGFRSRCLMNAMEN1KMT2A
SCHEMBL366998 0.81 HTT (0.46) EGFRSRCLMNAHTTKDM4E
SCHEMBL366741 0.78 EGFR (0.38) EGFRSRCMEN1KMT2A
SCHEMBL367764 0.76 EGFR (0.45) EGFRSRCLMNAHTTKDM4E
SCHEMBL367201 0.76 EGFR (0.45) EGFRSRCKDM4EALDH1A1
SCHEMBL367330 0.75 EGFR (0.46) EGFRSRCKDM4EALDH1A1KMT2A
SCHEMBL366109 0.75 EGFR (0.43) EGFRSRCKDM4EALDH1A1
SCHEMBL367283 0.74 RAB9A (0.44) EGFRSRCLMNAALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed