SCHEMBL4951283

SCHEMBL4951283

N=C(N)c1ccnc(C2=CC=C(C3=CC=C(c4cc(C(=N)N)ccn4)[SeH2]3)[SeH2]2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.39
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
C1S P09871 1/20 0.37
PLG P00747 1/20 0.37
KDM4E B2RXH2 3/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
KDM4A O75164 2/20 0.36
KDM5C P41229 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
KDM3A Q9Y4C1 2/20 0.36
KDM6B O15054 1/20 0.36
KMO O15229 1/20 0.36

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
Hydrochloric Acid SCHEMBL9792756 0.80 PRSS1 (0.50) PRSS1F2PRSS2PRSS3C1S
SCHEMBL3504239 0.76 NQO2 (0.42) PRSS1F2PRSS2PRSS3C1S
SCHEMBL9792777 0.74 PRSS1 (0.61) PRSS1F2PRSS2PRSS3C1S
SCHEMBL28809489 0.72 F2 (0.42) PRSS1F2PRSS2PRSS3C1S
SCHEMBL4356178 0.71 NQO2 (0.46) PRSS1F2PRSS2PRSS3
SCHEMBL3504631 0.71 PRSS1 (0.38) PRSS1F2PRSS2PRSS3C1S
SCHEMBL2435961 0.71 RECQL (0.44) PRSS1F2PRSS2PRSS3C1S
Hydrochloric Acid SCHEMBL15645583 0.69 LMNA (0.47) PRSS1F2PRSS2PRSS3C1S
SCHEMBL1159737 0.69 F12 (0.44) PRSS1F2PRSS2PRSS3C1S
SCHEMBL3554899 0.67 PRSS1 (0.50) PRSS1F2PRSS2PRSS3C1S

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-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP claimed