SCHEMBL4457178

SCHEMBL4457178

Cc1ccc(S(=O)(=O)n2ccc3cc(C4CCCCC4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.52
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 2/20 0.46
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
TRIM24 O15164 1/20 0.42
XBP1 P17861 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41

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
SCHEMBL27219492 0.83 HTR6 (0.50) HTR6ALDH1A1L3MBTL1POLBPPARG
SCHEMBL17747381 0.80 HTR6 (0.49) HTR6MAPTHTTL3MBTL1POLB
SCHEMBL17747382 0.80 HTR6 (0.49) HTR6MAPTHTTL3MBTL1POLB
SCHEMBL1894102 0.80 HTR6 (0.61) HTR6LMNAMAPTALDH1A1HTT
SCHEMBL28623603 0.79 HTR6 (0.44) HTR6L3MBTL1POLBPPARGRAPGEF4
SCHEMBL10004175 0.79 HTR6 (0.53) HTR6APOBEC3AAPOBEC3G
SCHEMBL31154316 0.75 HTR6 (0.45) HTR6L3MBTL1POLBPPARGRAPGEF4
SCHEMBL31668439 0.75 L3MBTL1 (0.43) HTR6LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4446722 0.75 HTR6 (0.59) HTR6LMNAMAPTHTTL3MBTL1
SCHEMBL17049298 0.75 HTR6 (0.56) HTR6LMNAMAPTALDH1A1HTT

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-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed