SCHEMBL5558063

SCHEMBL5558063

Cc1cc(N)c2cc(OC(=O)Nc3ccc(NC(=O)c4ccc5[nH]cnc5c4)cc3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.52
MMP9 P14780 5/20 0.47
MMP1 P03956 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3243485 0.90 MMP9 (0.53) NPC1RAB9AKMT2AMMP9MMP1
SCHEMBL5553492 0.87 MMP9 (0.46) KMT2AMMP9MMP1
SCHEMBL5559022 0.83 MMP9 (0.52) KMT2AMMP9MMP1
SCHEMBL5558922 0.82 MMP9 (0.51) KMT2AMMP9MMP1
SCHEMBL5559915 0.82 MMP9 (0.49) KMT2AMMP9MMP1
SCHEMBL5553677 0.79 MMP9 (0.45) KMT2AMMP9MMP1
SCHEMBL5553436 0.79 OPRL1 (0.51) KMT2AMMP9MMP1
SCHEMBL5553528 0.78 CA1 (0.52) NPC1RAB9AKMT2AMMP9MMP1
SCHEMBL5558128 0.78 CYP3A4 (0.52) KMT2AMMP9MMP1
SCHEMBL5558248 0.78 PRKCI (0.54) KMT2AMMP9MMP1

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