SCHEMBL4946899

SCHEMBL4946899

CC(=O)ONC(=N)c1ccc(-c2ccc(-c3oc(C(=N)N)cc3OC(C)=O)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 14/20 0.47
PRMT1 Q99873 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TOP1 P11387 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
PRSS1 P07477 3/20 0.37
TMPRSS15 P98073 3/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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 0.78 NQO2 (0.52) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4946905 0.73 NQO2 (0.48) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5492376 0.73 PRMT1 (0.55) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5492362 0.71 NQO2 (0.47) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5492386 0.69 PRMT1 (0.51) NQO2PRMT1ALDH1A1TOP1HPGD
Acetic Acid SCHEMBL3506391 0.68 NQO2 (0.82) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL3504227 0.66 NQO2 (0.57) NQO2PRMT1ALDH1A1TOP1HPGD
Pafuramidine SCHEMBL5143735 0.66 NQO2 (0.57) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL7031172 0.66 KDM4E (0.49) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL14390576 0.64 NQO2 (0.73) NQO2PRMT1ALDH1A1TOP1HPGD

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