SCHEMBL8801843

SCHEMBL8801843

CN=C(N)N(c1ccc(OC)c2ccccc12)c1ccc(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
EP300 Q09472 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
PLK1 P53350 1/20 0.39
PLAU P00749 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
CYP2C9 P11712 1/20 0.38
STAT6 P42226 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN2A Q99250 1/20 0.38
CDC25B P30305 2/20 0.37
NQO1 P15559 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL4979608 0.77 SIGMAR1 (0.55) IDO1EP300KAT8SCN2A
SCHEMBL8801835 0.72 PLK1 (0.49) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL9117418 0.71 SCN2A (0.45) IDO1EP300KAT8PLK1ALDH1A1
SCHEMBL29380721 0.71 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.71 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL4981353 0.70 SIGMAR1 (0.44) IDO1EP300KAT8SCN2A
SCHEMBL8334176 0.70 IDO1 (0.38) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL9162210 0.69 IDO1 (0.50) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL4984086 0.69 SIGMAR1 (0.56) IDO1EP300KAT8IMPDH2IMPDH1

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 2 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