SCHEMBL7136229

SCHEMBL7136229

O=C1Nc2ccc(CCCl)cc2C1=Cc1cc(O)c(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.57
LRRK2 Q5S007 7/20 0.55
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
RAF1 P04049 6/20 0.52
PLK4 O00444 2/20 0.50
EGFR P00533 2/20 0.49
ERBB2 P04626 1/20 0.49
PDGFRB P09619 1/20 0.49
NTRK1 P04629 1/20 0.49
ARAF P10398 1/20 0.49
PIM1 P11309 1/20 0.49
BRAF P15056 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PIM3 Q86V86 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49

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
SCHEMBL5358971 0.92 MAP1LC3B (0.70) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL7133928 0.89 LRRK2 (0.53) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL5368689 0.88 LRRK2 (0.69) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL5362863 0.85 ERBB2 (0.65) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL5357809 0.85 EGFR (0.71) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL7133366 0.84 NTRK1 (0.53) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5370082 0.84 LRRK2 (0.70) MAP1LC3BLRRK2PSEN1PSEN2APH1B
SCHEMBL5367874 0.84 LRRK2 (0.54) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5361803 0.84 LRRK2 (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL7133855 0.83 ERBB2 (0.53) LRRK2PSEN1PSEN2APH1BNCSTN

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