SCHEMBL13838786

SCHEMBL13838786

Bc1cc(/C=C2\C(=O)Nc3ccc(I)cc32)cc(C)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.65
MAPT P10636 4/20 0.65
EGFR P00533 4/20 0.65
MAP1LC3B Q9GZQ8 3/20 0.65
NTRK1 P04629 1/20 0.65
ARAF P10398 1/20 0.65
PIM1 P11309 1/20 0.65
BRAF P15056 1/20 0.65
CSNK2A1 P68400 1/20 0.65
PIM3 Q86V86 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.65
SIRT1 Q96EB6 1/20 0.65
MYOC Q99972 1/20 0.65
DYRK4 Q9NR20 1/20 0.65
SIRT3 Q9NTG7 1/20 0.65
SIRT5 Q9NXA8 1/20 0.65
MAP3K20 Q9NYL2 1/20 0.65
PIM2 Q9P1W9 1/20 0.65
RIPK3 Q9Y572 1/20 0.65
MEN1 O00255 1/20 0.65

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
SCHEMBL14040832 0.85 RAF1 (0.61) RAF1MAPTEGFRMAP1LC3BNTRK1
SCHEMBL5361193 0.84 ERBB2 (0.63) RAF1MAPTEGFRMAP1LC3BNTRK1
SCHEMBL6690796 0.84 RAF1 (0.76) RAF1MAPTEGFRMAP1LC3BNTRK1
SCHEMBL7140867 0.81 RAF1 (0.76) RAF1MAPTEGFRMAP1LC3BNTRK1
SCHEMBL7134225 0.80 MAPT (0.74) RAF1MAPTEGFRMAP1LC3BNTRK1
SCHEMBL12856381 0.80 RAF1 (0.70) RAF1MAPTEGFRMAP1LC3BNTRK1
Gw305074X SCHEMBL29392050 0.79 RAF1 (1.00) RAF1MAPTEGFRMAP1LC3BNTRK1
Gw305074X SCHEMBL12199472 0.79 RAF1 (1.00) RAF1MAPTEGFRMAP1LC3BNTRK1
Gw305074X SCHEMBL29389948 0.79 RAF1 (1.00) RAF1MAPTEGFRMAP1LC3BNTRK1
Gw305074X SCHEMBL149922 0.79 RAF1 (1.00) RAF1MAPTEGFRMAP1LC3BNTRK1

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-2012149547-A1 METHODS OF TREATING HEMOGLOBINOPATHIES DUKE UNIVERSITY (US) 2012-11-01 WO disclosed