SCHEMBL2656782

SCHEMBL2656782

CCOS(=O)(=O)c1ccc(C)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL1708608 0.86 POLB (0.38) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL11782537 0.84 ALDH1A1 (0.49) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL11782542 0.84 ALDH1A1 (0.49) L3MBTL1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL28823865 0.82 RAPGEF4 (0.38) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL5552179 0.81 KAT6A (0.44) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL7185812 0.80 L3MBTL1 (0.48) L3MBTL1KMT2ATSHRPOLBCA1
SCHEMBL3649899 0.79 MCOLN3 (0.50) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL21815478 0.79 MEN1 (0.47) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL29118330 0.78 AKR1B1 (0.35) L3MBTL1KMT2AMEN1TSHRPOLB
SCHEMBL28372969 0.77 CA1 (0.37) L3MBTL1KMT2AMEN1TSHRPOLB

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
CN-110036012-B Pyrido [3,4-d ] pyrimidine derivatives and pharmaceutically acceptable salts thereof 帝人制药株式会社 2022-05-10 CN disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed