SCHEMBL7019185

SCHEMBL7019185

CC(OS(C)(=O)=O)n1c(=O)sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5956419 0.77 SLC6A2 (0.52) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL4616539 0.76 SLC6A2 (0.51) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL4614754 0.74 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL11070894 0.72 SLC6A2 (0.48) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL10664881 0.71 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL11740967 0.70 SLC6A2 (0.46) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL11739205 0.69 SLC6A2 (0.48) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL11741513 0.69 TDP1 (0.50) SLC6A2SLC6A4L3MBTL1LMNAALDH1A1
SCHEMBL11741262 0.67 TDP1 (0.51) SLC6A2SLC6A4L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7019186 0.67 RAB9A (0.62) L3MBTL1LMNAALDH1A1SMN1; SMN2CYP3A4

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
EP-0705832-B1 Serotonergic modulators LILLY CO ELI (GB) 2003-08-13 EP disclosed
US-5563147-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0705832-A1 Serotonergic modulators LILLY INDUSTRIES LIMITED (GB) 1996-04-10 EP disclosed