SCHEMBL8529453

SCHEMBL8529453

CC(C)O/N=C(\C(=O)Oc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
ABCB1 P08183 2/20 0.31

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
SCHEMBL8529459 1.00 ROCK2 (0.32) ROCK2ROCK1ABCB1
SCHEMBL8528544 0.78 MEN1 (0.30)
SCHEMBL8528540 0.78 MEN1 (0.30)
SCHEMBL11091145 0.77 ROCK2 (0.37) ROCK2ROCK1
SCHEMBL8378509 0.74 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL9344725 0.74 MAPT (0.46)
SCHEMBL9623442 0.74 MAPT (0.46)
SCHEMBL9344729 0.74 MAPT (0.46)
SCHEMBL11311725 0.72 MAPT (0.39)
SCHEMBL11311717 0.72 POLB (0.38)

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