SCHEMBL8558531

SCHEMBL8558531

N#Cc1cccc2[nH]c(S)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.44
MAP2K1 Q02750 1/20 0.40
KCNMA1 Q12791 2/20 0.36
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.35
PARP1 P09874 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
CNR2 P34972 3/20 0.34
GRM2 Q14416 1/20 0.34
CNR1 P21554 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRM4 Q14833 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL251067 0.80 PSMB8 (0.67) PSMB8MAP2K1KCNMA1HTTTRPA1
SCHEMBL6427935 0.79 PARP1 (0.53) PSMB8MAP2K1KCNMA1HTTPARP1
SCHEMBL20305276 0.76 PSMB8 (0.49) PSMB8MAP2K1KCNMA1HTTPARP1
SCHEMBL15558409 0.75 PSMB8 (0.41) PSMB8MAP2K1KCNMA1PARP1CLK1
SCHEMBL20305418 0.73 PIN1 (0.49) PSMB8PARP1CNR2
SCHEMBL505010 0.72 DHODH (0.58) PARP1
SCHEMBL11739880 0.72 PSMB8 (0.56) PSMB8HTTPARP1
SCHEMBL110724 0.72 MGAM (0.53)
SCHEMBL8682741 0.72 GAA (0.42) PARP1
SCHEMBL9305381 0.72 NOS1 (0.37) PSMB8PARP1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed