SCHEMBL3708249

SCHEMBL3708249

CC(C)Cc1cc2cc(C(N)=O)cc(Cl)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CRHR1 P34998 1/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
FBP1 P09467 1/20 0.32
ALOX5AP P20292 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
CHEK2 O96017 1/20 0.31
KDM4E B2RXH2 3/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
DPP4 P27487 1/20 0.31
DAO P14920 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
BRD4 O60885 1/20 0.30
GAA P10253 2/20 0.30
MAPK1 P28482 2/20 0.30

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
SCHEMBL3710296 0.87 FBP1 (0.40) FBP1KDM4EHRH4
SCHEMBL3707303 0.86 HTT (0.36) HTTPARP1ALOX5AP
SCHEMBL3707995 0.68 RAB9A (0.47) POLBHPGDKDM4EGAA
SCHEMBL3710567 0.68 FBP1 (0.48) LMNAHTTPARP1FBP1HRH4
SCHEMBL25016679 0.67 OPRK1 (0.51) PARP1HPGDALOX5APKDM4EDPP4
SCHEMBL807514 0.66 LMNA (0.46) LMNAHTTPARP1POLBL3MBTL1
SCHEMBL30165327 0.65 MAPT (0.39) LMNAPARP1POLBL3MBTL1HPGD
SCHEMBL12545798 0.65 EPHX1 (0.47) LMNAPOLBL3MBTL1
SCHEMBL7920912 0.62 TTR (0.46) DAOHRH4
SCHEMBL23684463 0.62 GPR84 (0.43) LMNAPARP1FBP1KDM4EDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed