SCHEMBL4543801

SCHEMBL4543801

C=C(C(N)=O)c1ccc2c(c1)CCNC2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.49
▸ F2 P00734 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ PLAT P00750 1/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ ASIC3 Q9UHC3 2/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MELK Q14680 1/20 0.42
▸ PNMT P11086 2/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CD44 P16070 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL4544279 0.94 MELK (0.48) MELKPNMTADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL31335937 0.85 MELK (0.44) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL30527844 0.84 PLAU (0.53) PLAUF2PLGPLATKLKB1
SCHEMBL1119301 0.84 PLAU (0.53) PLAUF2PLGPLATKLKB1
Hydrochloric Acid SCHEMBL1028250 0.83 PLAU (0.52) PLAUF2PLGPLATKLKB1
SCHEMBL4544259 0.82 ASIC3 (0.47) PLAUF2PLGPLATKLKB1
SCHEMBL30428318 0.79 ALDH1A1 (0.59) PLAUF2PLGPLATKLKB1
SCHEMBL30357006 0.79 ALDH1A1 (0.59) PLAUADRA2AADRA2BADRA2C
SCHEMBL1026101 0.79 ALDH1A1 (0.59) PLAUF2PLGPLATKLKB1
SCHEMBL1013707 0.78 NPC1 (0.53) PLAUF2PLGPLATKLKB1

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
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