SCHEMBL6686685

SCHEMBL6686685

O=C1Nc2c(Br)cccc2C1=Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.54
SIRT1 Q96EB6 3/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
SIRT3 Q9NTG7 2/20 0.53
MAP1LC3B Q9GZQ8 3/20 0.51
EGFR P00533 3/20 0.51
NTRK1 P04629 1/20 0.51
ARAF P10398 1/20 0.51
PIM1 P11309 1/20 0.51
BRAF P15056 1/20 0.51
CSNK2A1 P68400 1/20 0.51
PIM3 Q86V86 1/20 0.51
MYOC Q99972 1/20 0.51
DYRK4 Q9NR20 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
RIPK3 Q9Y572 1/20 0.51
MEN1 O00255 1/20 0.51
PLK4 O00444 1/20 0.51

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
SCHEMBL6685283 0.88 RAF1 (0.69) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL6697120 0.87 RAF1 (0.54) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL1394680 0.85 SIRT1 (0.62) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL1394682 0.85 SIRT1 (0.62) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL1394280 0.85 RAF1 (0.64) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL1394279 0.85 RAF1 (0.64) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL6689435 0.84 ERBB2 (0.67) RAF1SIRT1SIRT2SIRT3EGFR
SCHEMBL6692550 0.81 EGFR (0.43) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL6692556 0.81 EGFR (0.43) RAF1SIRT1SIRT2SIRT3MAP1LC3B
SCHEMBL6690291 0.80 RAF1 (0.47) RAF1SIRT1SIRT2SIRT3MAP1LC3B

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