SCHEMBL1708608

SCHEMBL1708608

CCCOS(=O)(=O)c1ccc(C)cc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 4/20 0.34
F2 P00734 3/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL2656782 0.86 L3MBTL1 (0.42) POLBL3MBTL1CA1CA2CA9
SCHEMBL5552171 0.82 KAT6A (0.40) POLBCA1CA2KMT2AMEN1
SCHEMBL16637746 0.81 POLB (0.33) POLBL3MBTL1CA1CA2CA9
SCHEMBL30195988 0.81 ALDH1A1 (0.38) POLBL3MBTL1CA1CA2KMT2A
SCHEMBL7185812 0.78 L3MBTL1 (0.48) POLBL3MBTL1CA1CA2CA9
SCHEMBL28295025 0.77 ALDH1A1 (0.35) POLBL3MBTL1CA1CA2TSHR
SCHEMBL12180479 0.77 KMT2A (0.47) POLBL3MBTL1CA1CA2CA9
SCHEMBL16045767 0.76 CA1 (0.43) CA1CA2CA9KMT2AMEN1
SCHEMBL29415291 0.76 CA1 (0.43) CA1CA2CA9KMT2AMEN1
SCHEMBL9425246 0.76 MEP1B (0.38) KMT2ATSHRADRA1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021004535-A1 CINNOLINES AS INHIBITORS OF HPK 1 NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2021-01-14 WO disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed