SCHEMBL2596036

SCHEMBL2596036

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.73
MAPT P10636 5/20 0.73
LMNA P02545 3/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
KDM4E B2RXH2 2/20 0.73
HCRTR1 O43613 3/20 0.70
HCRTR2 O43614 3/20 0.70
HTR6 P50406 1/20 0.63
THRB P10828 3/20 0.61
ATM Q13315 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL2592990 0.91 POLB (0.74) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL2588313 0.91 HCRTR1 (0.76) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL2594616 0.86 HCRTR1 (0.83) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL2594555 0.84 HCRTR1 (0.67) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL7709772 0.83 HCRTR1 (1.00) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL7706425 0.81 LMNA (0.82) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL7703516 0.79 HCRTR1 (0.90) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL2588257 0.79 MAPT (0.66) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL2591711 0.79 HCRTR1 (0.74) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL7703511 0.79 HCRTR1 (0.90) POLBMAPTLMNAALDH1A1MEN1

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