SCHEMBL8528540

SCHEMBL8528540

CC(C)O/N=C(\C(=O)Oc1csc(N)n1)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8528544 1.00 MEN1 (0.30) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8529459 0.78 ROCK2 (0.32)
SCHEMBL27585579 0.74 MAPT (0.35) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL27694286 0.66 KMT2A (0.35) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9627288 0.66 GABRA5 (0.43) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL1000856 0.66 ALDH1A1 (0.44) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL10591403 0.66 ALDH1A1 (0.45) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9652839 0.65 ESR1 (0.36) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9652854 0.65 ESR1 (0.36) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8639770 0.65 MAPT (0.43) MEN1NPC1ALDH1A1MAPTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP claimed
EP-0620228-A1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD. (KR) 1994-10-19 EP claimed
EP-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP disclosed
US-5502200-A Reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY, LTD. (KR) 1996-03-26 US disclosed
EP-0620228-A1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD. (KR) 1994-10-19 EP disclosed