SCHEMBL28004671

SCHEMBL28004671

CC(=O)c1ccc(-c2c[nH]c3cc(C=O)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.48
SGK1 O00141 1/20 0.45
IMPDH2 P12268 2/20 0.44
TDO2 P48775 7/20 0.43
IDO1 P14902 1/20 0.41
ASH1L Q9NR48 2/20 0.40
GSK3B P49841 1/20 0.40
MMP2 P08253 1/20 0.39
HSD17B1 P14061 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 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
SCHEMBL28005054 0.87 ASH1L (0.50) SGK1TDO2ASH1L
SCHEMBL22158783 0.80 IMPDH2 (0.54) IMPDH2TDO2ASH1LMMP2PRKAB2
SCHEMBL122574 0.77 MMP2 (0.56) CLK1SGK1IMPDH2ASH1LMMP2
SCHEMBL27698578 0.77 NR4A2 (0.58) CLK1SGK1IMPDH2TDO2ASH1L
SCHEMBL10397390 0.72 HSD17B1 (0.59) MMP2HSD17B1
SCHEMBL21734392 0.71 HSD17B1 (0.53) HSD17B1
SCHEMBL13211664 0.71 MAPT (0.50) SGK1HSD17B1
SCHEMBL15651984 0.70 NR4A2 (0.41) PLGPLAU
SCHEMBL13323653 0.70 NPSR1 (0.42)
SCHEMBL255900 0.70 PRKAB2 (0.56) SGK1IMPDH2TDO2IDO1ASH1L

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
CN-102036953-B Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG 2015-05-06 CN claimed
CN-102036953-B Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG 2015-05-06 CN disclosed