SCHEMBL3976263

SCHEMBL3976263

N=C(NO)c1ccc(NCCNc2ccc(C(=N)NO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.52
F2 P00734 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.39
POLB P06746 1/20 0.37
HDAC1 Q13547 1/20 0.35
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13716071 0.83 ADRA2A (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL12348299 0.81 HSD17B10 (0.36) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6370923 0.79 ITGB3 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3875680 0.76 PRSS1 (0.84) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20090530 0.76 APP (0.42) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL193570 0.75 CES2 (0.44) HDAC1
SCHEMBL771387 0.72 LMNA (0.50) MAPTGAAALDH1A1
SCHEMBL566487 0.72 CES2 (0.46) HDAC1
SCHEMBL320863 0.71 PRSS1 (0.56) PRSS1F2PRSS2PRSS3HDAC1
SCHEMBL22182052 0.71 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6

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-2116236-A1 Bisbenzamidine derivatives for use as antioxidant Université de Mons-Hainaut (BE) 2009-11-11 EP disclosed