SCHEMBL2585096

SCHEMBL2585096

Cc1c(S(=O)(=O)Cc2ccccc2)c2ccccn2c1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.74
HCRTR1 O43613 3/20 0.74
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGDR Q13258 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
SCHEMBL2594270 0.92 HCRTR2 (0.75) HCRTR2HCRTR1POLBALDH1A1HPGD
SCHEMBL2584748 0.89 HCRTR2 (0.63) HCRTR2HCRTR1KDM4EHSD17B10TSHR
SCHEMBL7710724 0.87 HCRTR2 (0.70) HCRTR2HCRTR1KDM4EHSD17B10TSHR
SCHEMBL7707423 0.85 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EHSD17B10POLB
SCHEMBL2584567 0.82 HCRTR1 (0.52) HCRTR2HCRTR1KDM4EHSD17B10ALDH1A1
SCHEMBL7710901 0.80 HCRTR2 (1.00) HCRTR2HCRTR1ALDH1A1KMT2AL3MBTL1
SCHEMBL2588741 0.80 HCRTR2 (0.71) HCRTR2HCRTR1KDM4EHSD17B10TSHR
SCHEMBL7707649 0.79 HCRTR2 (0.82) HCRTR2HCRTR1KDM4EHSD17B10POLB
SCHEMBL2586103 0.78 HCRTR2 (0.58) HCRTR2HCRTR1KDM4EHSD17B10TSHR
SCHEMBL4635639 0.77 HCRTR1 (0.47) HCRTR2HCRTR1MAPK1ALDH1A1HTT

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
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed