SCHEMBL2592528

SCHEMBL2592528

CCOC(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.69
LMNA P02545 4/20 0.69
THRB P10828 1/20 0.69
ATM Q13315 1/20 0.65
HCRTR1 O43613 3/20 0.59
HCRTR2 O43614 3/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 5/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL2594555 0.93 HCRTR1 (0.67) POLBLMNATHRBATMHCRTR1
SCHEMBL2592644 0.91 HCRTR1 (0.70) POLBLMNATHRBATMHCRTR1
SCHEMBL2592990 0.86 POLB (0.74) POLBLMNATHRBATMHCRTR1
SCHEMBL7707031 0.81 LMNA (0.75) POLBLMNATHRBATMHCRTR1
SCHEMBL7703516 0.81 HCRTR1 (0.90) POLBLMNATHRBATMHCRTR1
SCHEMBL7703511 0.81 HCRTR1 (0.90) POLBLMNATHRBATMHCRTR1
SCHEMBL2592524 0.79 POLB (0.53) POLBLMNATHRBATMHCRTR1
SCHEMBL2596036 0.77 POLB (0.73) POLBLMNATHRBATMHCRTR1
SCHEMBL2592992 0.76 ATM (0.57) POLBLMNATHRBATMHCRTR1
SCHEMBL8528645 0.75 ALDH1A1 (0.71) POLBLMNAALDH1A1MAPTKDM4E

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