SCHEMBL6690293

SCHEMBL6690293

COC(=O)c1cccc2c1NC(=O)C2=Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.47
AURKA O14965 1/20 0.47
DHFR P00374 1/20 0.46
PLK4 O00444 1/20 0.42
PLK1 P53350 1/20 0.42
EGFR P00533 3/20 0.41
ERBB2 P04626 2/20 0.41
IGF1R P08069 2/20 0.41
PDGFRB P09619 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
PSD A5PKW4 1/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GSK3B P49841 3/20 0.40
LRRK2 Q5S007 1/20 0.39
RET P07949 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL6690291 1.00 RAF1 (0.47) RAF1AURKADHFRPLK4PLK1
SCHEMBL6692699 0.89 LRRK2 (0.49) RAF1AURKADHFRPLK4PLK1
SCHEMBL6692701 0.89 LRRK2 (0.49) RAF1AURKADHFRPLK4PLK1
SCHEMBL6687680 0.88 RAF1 (0.62) RAF1AURKADHFRPLK4PLK1
SCHEMBL6687681 0.88 RAF1 (0.62) RAF1AURKADHFRPLK4PLK1
SCHEMBL6689331 0.82 ERBB2 (0.51) RAF1AURKADHFRPLK4PLK1
SCHEMBL6689335 0.82 ERBB2 (0.51) RAF1AURKADHFRPLK4PLK1
SCHEMBL6686685 0.80 RAF1 (0.54) RAF1DHFRPLK4PLK1EGFR
SCHEMBL6692556 0.77 EGFR (0.43) RAF1DHFRPLK4PLK1EGFR
SCHEMBL6692550 0.77 EGFR (0.43) RAF1DHFRPLK4PLK1EGFR

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-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed