SCHEMBL2594911

SCHEMBL2594911

O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NC1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
POLB P06746 8/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 4/20 0.49
HTR6 P50406 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL2594616 0.78 HCRTR1 (0.83) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2596036 0.76 POLB (0.73) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2461656 0.72 ALDH1A1 (0.63) MAPTALDH1A1HTTL3MBTL1TSHR
Hydrochloric Acid SCHEMBL5969836 0.71 ALDH1A1 (0.62) MAPTALDH1A1HTTL3MBTL1TSHR
SCHEMBL2591711 0.71 HCRTR1 (0.74) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2592900 0.70 HCRTR1 (1.00) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2594555 0.70 HCRTR1 (0.67) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2592990 0.69 POLB (0.74) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL2588313 0.69 HCRTR1 (0.76) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL7709772 0.69 HCRTR1 (1.00) MAPTPOLBMEN1ALDH1A1KMT2A

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 3 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 claimed
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