SCHEMBL8801835

SCHEMBL8801835

CNC(=N)N(c1ccc(OC)c2ccccc12)c1ccc(OC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
IDO1 P14902 1/20 0.42
CDC25B P30305 3/20 0.41
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
STAT6 P42226 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
SCHEMBL8803077 0.81 IDO1 (0.49) PLK1IDO1CDC25BEP300KAT8
SCHEMBL4984086 0.76 SIGMAR1 (0.56) PLK1IDO1CDC25BEP300KAT8
SCHEMBL4979602 0.74 MEN1 (0.44) PLK1IDO1CDC25BEP300KAT8
SCHEMBL8801843 0.72 IDO1 (0.46) PLK1IDO1CDC25BEP300KAT8
SCHEMBL29380721 0.71 IDO1 (0.73) PLK1IDO1CDC25BEP300KAT8
SCHEMBL419307 0.71 IDO1 (0.73) PLK1IDO1CDC25BEP300KAT8
SCHEMBL4977819 0.70 CDC25B (0.53) PLK1IDO1CDC25BEP300KAT8
SCHEMBL8334176 0.70 IDO1 (0.38) PLK1IDO1CDC25BEP300KAT8
SCHEMBL9162210 0.69 IDO1 (0.50) PLK1IDO1CDC25BEP300KAT8
Bromide SCHEMBL5458209 0.69 CDC25B (0.51) PLK1IDO1CDC25BEP300KAT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed