SCHEMBL2592641

SCHEMBL2592641

CCCC(=O)On1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
HCRTR1 O43613 3/20 0.55
HCRTR2 O43614 3/20 0.55
POLB P06746 9/20 0.52
THRB P10828 2/20 0.52
MAPT P10636 7/20 0.51
LMNA P02545 4/20 0.48
TP53 P04637 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL2594552 0.91 HCRTR1 (0.52) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2592524 0.90 POLB (0.53) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2588315 0.89 L3MBTL1 (0.65) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2596039 0.79 HCRTR1 (0.54) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2592644 0.78 HCRTR1 (0.70) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2592992 0.78 ATM (0.57) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL27249973 0.77 L3MBTL1 (1.00) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2588313 0.74 HCRTR1 (0.76) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL2592510 0.73 L3MBTL1 (0.70) L3MBTL1HCRTR1HCRTR2POLBTHRB
SCHEMBL1858950 0.73 KDM4E (0.41) L3MBTL1POLBMAPTLMNAALDH1A1

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 1 patent. 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