SCHEMBL7138262

SCHEMBL7138262

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
CISD1 Q9NZ45 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SIRT1 Q96EB6 3/20 0.43
PLK4 O00444 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
EP300 Q09472 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
KDM1A O60341 2/20 0.40
HSD17B3 P37058 1/20 0.39
RAF1 P04049 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
CARM1 Q86X55 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
SCHEMBL8193593 0.93 PLK4 (0.51) LRRK2CISD1MEN1KMT2APLK4
SCHEMBL7139926 0.91 LRRK2 (0.42) LRRK2CISD1MEN1KMT2ASIRT1
SCHEMBL7135662 0.87 ERBB2 (0.41) LRRK2CISD1MEN1KMT2ASIRT1
SCHEMBL7133993 0.87 METAP1 (0.50) LRRK2MEN1KMT2ASIRT1PLK4
SCHEMBL7136068 0.85 GSK3B (0.50) MEN1KMT2AALDH1A1MAPT
SCHEMBL7131324 0.85 MAP1LC3B (0.52) LRRK2CISD1MEN1KMT2ASIRT1
SCHEMBL7137722 0.85 KDM1A (0.54) MEN1KMT2APLK4ALDH1A1MAPT
SCHEMBL7134037 0.85 MAP1LC3B (0.45) LRRK2CISD1MEN1KMT2ASIRT1
SCHEMBL7133939 0.84 PIM1 (0.53) MEN1KMT2ASIRT1ALDH1A1MAPT
SCHEMBL7138862 0.84 MAPT (0.47) MEN1KMT2ASIRT1ALDH1A1MAPT

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