SCHEMBL7138552

SCHEMBL7138552

CC(C)(C)c1ccc(Oc2cccc(C=C3C(=O)Nc4ccc(I)cc43)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.56
MAPT P10636 3/20 0.50
APP P05067 2/20 0.50
RAF1 P04049 3/20 0.47
MAP1LC3B Q9GZQ8 2/20 0.47
NTRK1 P04629 2/20 0.47
PLK4 O00444 2/20 0.47
PLK1 P53350 2/20 0.47
EGFR P00533 2/20 0.47
ARAF P10398 1/20 0.47
PIM1 P11309 1/20 0.47
BRAF P15056 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PIM3 Q86V86 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MYOC Q99972 1/20 0.47
DYRK4 Q9NR20 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 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
SCHEMBL7131079 0.89 MAPT (0.53) ADAMTS5MAPTAPPRAF1MAP1LC3B
SCHEMBL7131050 0.89 RET (0.56) ADAMTS5MAPTAPPRAF1MAP1LC3B
SCHEMBL5367146 0.88 NTRK1 (0.55) MAPTAPPRAF1MAP1LC3BNTRK1
SCHEMBL7139901 0.84 MAPT (0.48) ADAMTS5MAPTAPPRAF1MAP1LC3B
SCHEMBL7138290 0.84 ADAMTS5 (0.52) ADAMTS5NTRK1PLK4PLK1EGFR
SCHEMBL5358684 0.83 MAPT (0.69) MAPTAPPRAF1MAP1LC3BNTRK1
SCHEMBL7137030 0.83 ADAMTS5 (0.54) ADAMTS5MAPTAPPRAF1MAP1LC3B
SCHEMBL7130884 0.83 ADAMTS5 (0.51) ADAMTS5NTRK1MAOAMAOB
SCHEMBL7131328 0.82 MAPT (0.58) MAPTAPPRAF1MAP1LC3BNTRK1
SCHEMBL7133810 0.81 MAPT (0.62) MAPTAPPRAF1MAP1LC3BNTRK1

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed