SCHEMBL2053840

SCHEMBL2053840

CC(C)Cc1nc2[nH]c(=O)n(S(C)(=O)=O)c(=O)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.33
GSK3B P49841 1/20 0.32
ADORA2B P29275 13/20 0.32
ADORA2A P29274 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 4/20 0.31
ADORA1 P30542 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL59950 0.80 ADORA2B (0.48) TSHRHTTADORA2BADORA2AALDH1A1
SCHEMBL6033611 0.77 ADORA2B (0.52) HTTADORA2BADORA2AADORA3ADORA1
SCHEMBL8519588 0.76 TSHR (0.36) TSHRHTTGSK3BADORA2BADORA2A
SCHEMBL272518 0.76 TSHR (0.39) TSHRHTTGSK3BADORA2BADORA2A
Phosphoric Acid SCHEMBL8500180 0.74 ADORA2B (0.43) TSHRHTTADORA2BADORA2AALDH1A1
SCHEMBL60159 0.68 TSHR (0.46) TSHRHTTGSK3BADORA2BADORA2A
SCHEMBL10535020 0.66 ADORA2B (0.47) TSHRADORA2BADORA2AMEN1CYP2C19
Xanthine SCHEMBL692609 0.66 ADORA2B (0.54) TSHRADORA2BADORA2AHSD17B10HPGD
SCHEMBL150603 0.62 GAA (0.45) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL538419 0.61 ADORA2B (0.57) TSHRADORA2BADORA2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726603-A1 BROWN FAT CELL COMPOSITIONS AND METHODS Biorestorative Therapies, Inc. (US) 2014-05-07 EP disclosed
WO-2013003595-A1 BROWN FAT CELL COMPOSITIONS AND METHODS BIORESTORATIVE THERAPIES, INC. (US) 2013-01-03 WO disclosed
EP-2509992-A2 TREATMENTS FOR GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
WO-2011071927-A2 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-16 WO disclosed
WO-2004069172-A2 MULTILINEAGE-INDUCIBLE CELLS AND USES THEREOF The Government of the United States of America as represented by the Department of Veterans Affairs (US) 2004-08-19 WO disclosed
EP-0894133-A2 NEUROPEPTIDE Y RECEPTOR Y5 AND NUCLEIC ACID SEQUENCE Bayer Corporation (US) 1999-02-03 EP disclosed
WO-1997037998-A2 NEUROPEPTIDE Y RECEPTOR Y5 AND NUCLEIC ACID SEQUENCE BAYER CORPORATION (US) 1997-10-16 WO disclosed