SCHEMBL28785166

SCHEMBL28785166

CC(Br)c1nc(C(=O)O)cs1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
PLA2G4A P47712 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HPGDS O60760 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL314037 0.85 TLR7 (0.53) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL29232872 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL13147606 0.81 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL13999764 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL28356710 0.80 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL9415800 0.79 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL9415797 0.79 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL16503356 0.79 PLA2G4A (0.44) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL16503358 0.79 PLA2G4A (0.44) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A
SCHEMBL4885031 0.77 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4ETLR7PLA2G4A

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed