SCHEMBL9364255

SCHEMBL9364255

COC(=O)c1ccc(CS)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
KMT2A Q03164 4/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 2/20 0.46
HSD17B2 P37059 1/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8429886 0.86 MAPT (0.60) MAPTKMT2ACA1CA2CA12
SCHEMBL2252810 0.85 MAPT (0.58) MAPTKMT2ACA1CA2CA12
SCHEMBL9428447 0.85 CA12 (0.62) CA1CA2CA12CA7CA9
SCHEMBL16664960 0.84 PLK1 (0.49) MAPTKMT2ATSHRMEN1CYP1A2
SCHEMBL184552 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL1252482 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL8529739 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL13306149 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL2985242 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL16839623 0.83 MAPT (0.57) MAPTKMT2ACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed
CN-1030074-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORP (US) 1989-01-04 CN claimed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP claimed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0403249-B1 Leukotriene antagonists SMITHKLINE BEECHAM CORP (US) 1994-04-27 EP disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
CN-1030074-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORP (US) 1989-01-04 CN disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed