SCHEMBL3398595

SCHEMBL3398595

Cc1cc(=O)c(-c2ccc(Br)cc2)c(C)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL9455121 0.85 ALDH1A1 (0.46) LMNAHPGDPTGS2NPC1RAB9A
SCHEMBL9455077 0.82 KEAP1 (0.49) PTGS2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9269940 0.82 SLC2A1 (0.49) LMNAHPGDPTGS2NPC1RAB9A
SCHEMBL9269889 0.82 PDGFRA (0.49) LMNAHPGDPTGS2SMN1; SMN2GAA
SCHEMBL9422608 0.81 PDGFRA (0.51) LMNAHPGDPTGS2SMN1; SMN2GAA
SCHEMBL9259612 0.81 KEAP1 (0.47) PTGS2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5100169 0.81 SLC2A1 (0.48) LMNAHPGDPTGS2NPC1RAB9A
SCHEMBL9454898 0.79 ALDH1A1 (0.51) LMNAHPGDPTGS2NPC1RAB9A
SCHEMBL3397344 0.79 LMNA (0.43) LMNAHPGDPTGS2NPC1RAB9A
SCHEMBL9136486 0.79 IMPDH2 (0.47) LMNAHPGDNPC1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed