SCHEMBL7136228

SCHEMBL7136228

Cc1c(Br)cc(Br)c2c1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 1/20 0.44
IGF1R P08069 1/20 0.43
NAT1 P18440 1/20 0.40
LRRK2 Q5S007 2/20 0.38
DYRK1A Q13627 4/20 0.35
CES1 P23141 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PLK4 O00444 1/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7136076 0.87 LRRK2 (0.42) SIRT2SIRT1SIRT3LRRK2PSEN1
SCHEMBL7133826 0.85 MAPT (0.44) SIRT2SIRT1SIRT3DYRK1AALDH1A1
SCHEMBL7134007 0.85 PIM1 (0.42) SIRT2SIRT1SIRT3LRRK2PSEN1
SCHEMBL7131330 0.85 ADAMTS5 (0.52) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL7138182 0.84 KMT2A (0.42) SIRT2SIRT1SIRT3PLK4ALDH1A1
SCHEMBL7138862 0.84 MAPT (0.47) SIRT2SIRT1SIRT3ALDH1A1MEN1
SCHEMBL8193593 0.82 PLK4 (0.51) LRRK2PLK4ALDH1A1MEN1KMT2A
SCHEMBL7131272 0.82 SIRT2 (0.52) SIRT2SIRT1SIRT3IGF1RALDH1A1
SCHEMBL7133405 0.82 LRRK2 (0.46) SIRT2SIRT1SIRT3IGF1RNAT1
SCHEMBL7133808 0.82 DYRK1A (0.37) SIRT2SIRT1SIRT3LRRK2DYRK1A

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