SCHEMBL5354568

SCHEMBL5354568

Cc1cc(N)c2cc(C(=O)Nc3ccc(NC(=O)c4ccc5nc(C)cc(N)c5c4)cc3)ccc2n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.68
GNG2 P59768 2/20 0.68
GNB1 P62873 2/20 0.68
MMP1 P03956 2/20 0.68
MEN1 O00255 1/20 0.68
ALOX15 P16050 1/20 0.68
BLM P54132 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL3237103 0.96 MMP9 (0.64) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3236207 0.92 OPRL1 (0.60) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3242010 0.91 PLAU (0.58) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3245122 0.91 MMP9 (0.58) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3244101 0.89 MMP9 (0.57) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3240209 0.89 MMP9 (0.60) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3231124 0.89 PRKCI (0.59) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3236262 0.89 MMP9 (0.63) MMP9GNG2GNB1MMP1MEN1
SCHEMBL5848272 0.88 MMP9 (0.71) MMP9GNG2GNB1MMP1MEN1
SCHEMBL3239642 0.88 MMP9 (0.59) MMP9GNG2GNB1MMP1MEN1

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
US-7235558-B2 Inhibitors of the GPIb—vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US claimed
US-7235558-B2 Inhibitors of the GPIb—vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed