SCHEMBL2732077

SCHEMBL2732077

CNS(=O)(=O)c1csc(NC(=O)c2ccc(O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TYR P14679 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
PHGDH O43175 3/20 0.44
SCD O00767 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL703145 0.86 RAB9A (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4757285 0.76 RAB9A (0.64) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4757970 0.74 NPC1 (0.65) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4757221 0.73 NPC1 (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4757029 0.73 RAB9A (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4757279 0.73 RRM1 (0.62) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL25290573 0.72 KMT2A (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2698148 0.72 MAPT (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL704070 0.72 KDM4A (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3692973 0.71 RAB9A (0.54) MAPTRAB9ANPC1MEN1KMT2A

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
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP disclosed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO disclosed