SCHEMBL5559059

SCHEMBL5559059

Cc1cc(N)c2cc(NC(=O)c3ccc(CNC(=O)Oc4cncc(N5CCCC5)n4)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.51
MMP1 P03956 3/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
TP53 P04637 2/20 0.43
OPRD1 P41143 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
GNG2 P59768 1/20 0.43
GNB1 P62873 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3238008 0.88 MMP9 (0.53) MMP9MMP1MAPTOPRL1TP53
SCHEMBL5559976 0.84 MMP9 (0.53) MMP9MMP1OPRM1OPRK1OPRL1
SCHEMBL3236312 0.76 MMP9 (0.58) MMP9MMP1OPRL1MEN1ALOX15
SCHEMBL3240104 0.73 MMP9 (0.56) MMP9MMP1MEN1ALOX15BLM
SCHEMBL3240190 0.73 MMP9 (0.65) MMP9MMP1OPRL1MEN1ALOX15
SCHEMBL3237959 0.72 SMN1; SMN2 (0.53) MMP9MMP1MAPTKDM4EMEN1
SCHEMBL3237638 0.70 CTNNB1 (0.54) MMP9MMP1
SCHEMBL5553600 0.69 MMP9 (0.70) MMP9MMP1OPRL1MEN1ALOX15
SCHEMBL8359448 0.69 MMP9 (0.73) MMP9MMP1OPRL1MEN1ALOX15
SCHEMBL5558098 0.69 SMN1; SMN2 (0.48) MMP9MAPTOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed