SCHEMBL7982402

SCHEMBL7982402

O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
RAF1 P04049 3/20 0.54
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
ULK1 O75385 1/20 0.50
KIF15 Q9NS87 1/20 0.50
PAK1 Q13153 2/20 0.49
CASP3 P42574 4/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
PLK4 O00444 1/20 0.48
PLK1 P53350 1/20 0.48
LRRK2 Q5S007 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL7982403 1.00 EGFR (0.58) EGFRRAF1AURKAAURKBULK1
SCHEMBL7982417 0.91 CASP3 (0.61) RAF1AURKAAURKBULK1KIF15
SCHEMBL7982420 0.91 CASP3 (0.61) RAF1AURKAAURKBULK1KIF15
SCHEMBL5772971 0.81 RAF1 (0.63) RAF1ULK1KIF15PLK4PLK1
SCHEMBL1395190 0.80 RAF1 (0.62) EGFRRAF1AURKAAURKBKIF15
SCHEMBL5086209 0.80 RAF1 (0.62) EGFRRAF1AURKAAURKBKIF15
SCHEMBL6535504 0.78 CASP3 (0.79) EGFRCASP3CASP1CASP7CASP9
SCHEMBL24152475 0.77 EGFR (0.53) EGFRAURKAAURKBCASP3CASP1
SCHEMBL1395409 0.75 LRRK2 (0.76) EGFRRAF1ULK1KIF15PLK4
SCHEMBL1395411 0.75 LRRK2 (0.76) EGFRRAF1ULK1KIF15PLK4

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-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed