SCHEMBL7135671

SCHEMBL7135671

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1ccc(O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
TTR P02766 1/20 0.40
LRRK2 Q5S007 3/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MDM2 Q00987 1/20 0.39
PLK4 O00444 3/20 0.39
PLK1 P53350 2/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
GALK1 P51570 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7135677 0.89 MDM2 (0.47) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL7134869 0.85 SIRT1 (0.43) SIRT1SIRT2SIRT3MDM2PLK4
SCHEMBL5365740 0.82 PTPN1 (0.51) LRRK2MDM2PLK4PLK1RAF1
SCHEMBL5365556 0.81 SIRT1 (0.46) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL7132034 0.81 LRRK2 (0.50) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL5361431 0.80 METAP1 (0.54) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL5368618 0.80 ERN1 (0.46) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL5363102 0.80 SIRT1 (0.46) SIRT1SIRT2SIRT3LRRK2PSEN1
SCHEMBL7133846 0.80 SIRT1 (0.39) SIRT1SIRT2SIRT3TTRLRRK2
SCHEMBL5362880 0.80 PLK4 (0.57) SIRT1SIRT2SIRT3LRRK2PLK4

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