SCHEMBL7019186

SCHEMBL7019186

CS(=O)(=O)OCCn1c(=O)sc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
TSHR P16473 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 8/20 0.60
TDP1 Q9NUW8 2/20 0.60
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 3/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
ATM Q13315 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL30194878 0.82 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL10652650 0.77 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL4615852 0.77 L3MBTL1 (0.64) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL11443619 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL11709456 0.75 MEN1 (0.50) ALDH1A1CYP2C19CYP1A2
SCHEMBL11349942 0.75 L3MBTL1 (0.66) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL4617266 0.74 CYP3A4 (0.64) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL11436081 0.74 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL4614755 0.73 L3MBTL1 (0.69) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL2149244 0.73 L3MBTL1 (0.65) RAB9ANPC1SMN1; SMN2TSHRALDH1A1

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