SCHEMBL4946905

SCHEMBL4946905

CC(=O)ON=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC(C)=O)cc3)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.48
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TOP1 P11387 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PRMT1 Q99873 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3508130 0.86 NQO2 (0.52) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL13167117 0.86 KDM4E (0.49) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5492386 0.84 PRMT1 (0.51) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5492376 0.74 PRMT1 (0.55) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5492362 0.74 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL4946899 0.73 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL4951247 0.73 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
Pafuramidine SCHEMBL5143735 0.72 NQO2 (0.57) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL3504227 0.72 NQO2 (0.57) NQO2ALDH1A1HPGDHSD17B10TOP1
Acetic Acid SCHEMBL3506391 0.71 NQO2 (0.82) NQO2ALDH1A1HPGDHSD17B10TOP1

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