SCHEMBL8524728

SCHEMBL8524728

CC(C)(C)OC(=O)CC(C)(CNC(=O)c1cccc(NC(=N)N)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MAPT P10636 1/20 0.40
PAX8 Q06710 1/20 0.40
F7 P08709 1/20 0.40
CASR P41180 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PTPRC P08575 2/20 0.39
F2 P00734 4/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KCNK3 O14649 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL8542406 0.77 HTT (0.47) MAPTHTTL3MBTL1KCNK9F2
SCHEMBL7453096 0.76 LMNA (0.48) MAPTPAX8KMT2ALMNAMEN1
SCHEMBL7380397 0.75 CASR (0.47) MAPTPAX8F7CASRHTT
SCHEMBL19426798 0.73 PLK4 (0.48) KCNK9KMT2ALMNAKCNK3MEN1
SCHEMBL26049628 0.72 NPSR1 (0.46) HTTL3MBTL1KCNK9KMT2ALMNA
SCHEMBL7856471 0.72 TP53 (0.45) PRMT5WDR77MAPTCASRHTT
SCHEMBL6778195 0.72 ITGB3 (0.43) F7CASRF2KMT2AMEN1
SCHEMBL7379927 0.72 KMT2A (0.45) MAPTF7HTTF2KMT2A
SCHEMBL7372871 0.72 PLK4 (0.50) KCNK9KMT2AKCNK3MEN1NPC1
SCHEMBL6366986 0.72 PLA2G10 (0.47) MAPTHTTL3MBTL1KCNK9PTPRC

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-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed