SCHEMBL2592510

SCHEMBL2592510

O=S(=O)(Cc1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
HCRTR1 O43613 2/20 0.67
HCRTR2 O43614 2/20 0.67
LMNA P02545 3/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 6/20 0.61
MAPT P10636 5/20 0.61
THRB P10828 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 1/20 0.57
BLM P54132 1/20 0.57
HTR6 P50406 1/20 0.55

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
SCHEMBL2588313 0.85 HCRTR1 (0.76) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL27249973 0.82 L3MBTL1 (1.00) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL2592900 0.81 HCRTR1 (1.00) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL2592644 0.79 HCRTR1 (0.70) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL7707718 0.78 HCRTR1 (1.00) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL2594733 0.77 HCRTR1 (0.96) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL7711063 0.77 HCRTR1 (0.96) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL24273464 0.77 LMNA (0.66) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL2588315 0.75 L3MBTL1 (0.65) L3MBTL1HCRTR1HCRTR2LMNAALDH1A1
SCHEMBL16977268 0.74 CYP19A1 (0.61) LMNAALDH1A1POLBMAPTSMN1; SMN2

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 claimed
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed