SCHEMBL577812

SCHEMBL577812

CCc1n[nH]cc1-c1cc(OCc2ccc(OC)cc2)nc(-c2nc(C(F)(F)F)cs2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
TP53 P04637 5/20 0.35
PDE2A O00408 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
FABP4 P15090 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PTGS2 P35354 1/20 0.33
PTGES O14684 1/20 0.33
FABP3 P05413 1/20 0.32
CYP19A1 P11511 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL578133 0.90 PDE2A (0.37) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL577707 0.83 PDE2A (0.39) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL577521 0.83 PDE2A (0.39) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL11926435 0.82 PDE2A (0.38) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL578045 0.82 PDE2A (0.37) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL578162 0.82 PDE2A (0.40) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL577789 0.81 PDE2A (0.39) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL577781 0.81 PDE2A (0.38) MAPTTP53PDE2ASMN1; SMN2FABP4
SCHEMBL578370 0.81 ADORA2A (0.43) MAPTTP53PDE2ASMN1; SMN2MEN1
SCHEMBL577666 0.81 PTGDR (0.40) MAPTTP53PDE2ASMN1; SMN2FABP4

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
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed