SCHEMBL7510205

SCHEMBL7510205

CC(=O)c1cccc(-c2cccs2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
KEAP1 Q14145 1/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTK P29376 1/20 0.40
CDK5 Q00535 1/20 0.40
MST1R Q04912 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4596567 0.87 KDM4E (0.51) KDM4EALDH1A1LMNAL3MBTL1HCRTR1
SCHEMBL2417969 0.85 ALDH1A1 (0.49) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL27204316 0.84 BAZ2B (0.53) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL21384934 0.83 KDM4E (0.49) MAPTKDM4EALDH1A1GAAHCRTR1
SCHEMBL22261511 0.83 ALDH1A1 (0.53) MAPTKDM4EALDH1A1GAAL3MBTL1
SCHEMBL25550174 0.80 MYC (0.44) KDM4EALDH1A1LMNAL3MBTL1TSHR
SCHEMBL3903077 0.77 MAPT (0.46) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL27684614 0.75 TMIGD3 (0.46) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL28080111 0.74 KDM4E (0.49) MAPTKDM4EALDH1A1GAAL3MBTL1
SCHEMBL8444051 0.74 MEN1 (0.44) MAPTKDM4EALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed