SCHEMBL2585647

SCHEMBL2585647

Cc1cn2ccccc2c1S(=O)(=O)Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM4 Q14833 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL2591965 0.86 L3MBTL1 (0.51) LMNAL3MBTL1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL2589947 0.86 MEN1 (0.46) LMNAL3MBTL1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL2584750 0.71 HCRTR2 (0.48) LMNAL3MBTL1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL2589693 0.70 HCRTR2 (0.47) LMNAL3MBTL1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL2586103 0.70 HCRTR2 (0.58) LMNAL3MBTL1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL779990 0.68 L3MBTL1 (0.55) LMNAL3MBTL1SMN1; SMN2NPSR1MEN1
SCHEMBL5843078 0.67 CYP19A1 (0.46) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL18091142 0.66 HTR6 (0.43) SMN1; SMN2
SCHEMBL776710 0.66 TAAR1 (0.47) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL775777 0.65 TAAR1 (0.50) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1

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-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed