SCHEMBL6687680

SCHEMBL6687680

COC(=O)c1cccc2c1NC(=O)/C2=C\c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.62
AURKA O14965 1/20 0.62
SIRT1 Q96EB6 3/20 0.56
SIRT2 Q8IXJ6 2/20 0.56
SIRT3 Q9NTG7 2/20 0.56
LRRK2 Q5S007 3/20 0.54
MAP1LC3B Q9GZQ8 3/20 0.48
NTRK1 P04629 2/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
EGFR P00533 1/20 0.48
ARAF P10398 1/20 0.48
PIM1 P11309 1/20 0.48
BRAF P15056 1/20 0.48
CSNK2A1 P68400 1/20 0.48
PIM3 Q86V86 1/20 0.48

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
SCHEMBL6687681 1.00 RAF1 (0.62) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL6690293 0.88 RAF1 (0.47) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL6692701 0.88 LRRK2 (0.49) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL6692699 0.88 LRRK2 (0.49) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL6690291 0.88 RAF1 (0.47) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL6685283 0.82 RAF1 (0.69) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL1394280 0.79 RAF1 (0.64) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL5774755 0.79 RAF1 (0.64) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL1394279 0.79 RAF1 (0.64) RAF1AURKASIRT1SIRT2SIRT3
SCHEMBL5774752 0.79 RAF1 (0.64) RAF1AURKASIRT1SIRT2SIRT3

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 claimed