SCHEMBL7133779

SCHEMBL7133779

O=C1Nc2ccc(I)cc2C1=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.67
▸ APP P05067 2/20 0.67
▸ RAF1 P04049 4/20 0.60
▸ MAP1LC3B Q9GZQ8 2/20 0.60
▸ SIRT2 Q8IXJ6 2/20 0.60
▸ SIRT1 Q96EB6 2/20 0.60
▸ SIRT3 Q9NTG7 2/20 0.60
▸ SIRT5 Q9NXA8 2/20 0.60
▸ PIM1 P11309 2/20 0.60
▸ PLK4 O00444 2/20 0.60
▸ PLK1 P53350 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ EGFR P00533 1/20 0.60
▸ NTRK1 P04629 1/20 0.60
▸ ARAF P10398 1/20 0.60
▸ BRAF P15056 1/20 0.60
▸ CSNK2A1 P68400 1/20 0.60
▸ PIM3 Q86V86 1/20 0.60
▸ MYOC Q99972 1/20 0.60

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
SCHEMBL5358659 0.92 LRRK2 (0.69) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL7133810 0.86 MAPT (0.62) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL5370064 0.83 PSEN1 (0.71) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL7138082 0.83 MAPT (0.70) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL5366800 0.83 MAPT (0.70) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL7132904 0.83 MAPT (0.74) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL5373326 0.83 MAPT (0.70) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL16442340 0.83 PDGFRB (0.72) MAPTAPPSIRT2SIRT1SIRT3
SCHEMBL5366302 0.83 MEN1 (0.73) MAPTAPPRAF1MAP1LC3BSIRT2
SCHEMBL7137717 0.82 PPARG (0.65) MAPTAPPRAF1MAP1LC3BSIRT2

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
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