SCHEMBL2594555

SCHEMBL2594555

CCOC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.67
HCRTR2 O43614 2/20 0.67
POLB P06746 6/20 0.64
MAPT P10636 6/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
THRB P10828 1/20 0.62
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTR6 P50406 1/20 0.58
ATM Q13315 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL2592528 0.93 POLB (0.69) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL2592644 0.91 HCRTR1 (0.70) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL2596036 0.84 POLB (0.73) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL2592990 0.81 POLB (0.74) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL7706425 0.81 LMNA (0.82) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL7709772 0.81 HCRTR1 (1.00) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL7707031 0.79 LMNA (0.75) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL2594616 0.79 HCRTR1 (0.83) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL7703516 0.78 HCRTR1 (0.90) HCRTR1HCRTR2POLBMAPTLMNA
SCHEMBL7703511 0.78 HCRTR1 (0.90) HCRTR1HCRTR2POLBMAPTLMNA

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-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed