SCHEMBL4544259

SCHEMBL4544259

C=C(C(=O)NO)c1ccc2c(c1)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
PLAU P00749 4/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
MELK Q14680 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
PNMT P11086 1/20 0.41
SLC2A1 P11166 1/20 0.40

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
SCHEMBL4543801 0.82 PLAU (0.49) ASIC3PLAUF2PLGPLAT
SCHEMBL30924723 0.82 F2 (0.54) ASIC3PLAUF2PLGPLAT
SCHEMBL2734236 0.82 F2 (0.54) ASIC3PLAUF2PLGPLAT
SCHEMBL30428318 0.77 ALDH1A1 (0.59) ASIC3PLAUF2PLGPLAT
SCHEMBL1026101 0.77 ALDH1A1 (0.59) ASIC3PLAUF2PLGPLAT
SCHEMBL4544279 0.77 MELK (0.48) MELKPNMTSLC2A1
SCHEMBL4380045 0.76 MELK (0.48) MELKPNMTSLC2A1
SCHEMBL1029100 0.76 MELK (0.57) MELKPNMTSLC2A1
SCHEMBL29903194 0.76 MELK (0.57) MELKPNMTSLC2A1
SCHEMBL772708 0.76 ASIC3 (0.53) ASIC3PLAUF2PLGPLAT

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-2120910-A2 HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF Novartis Ag (CH) 2009-11-25 EP claimed
WO-2008076954-A2 HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2008-06-26 WO claimed