SCHEMBL8328091

SCHEMBL8328091

CCOc1cc2c(Nc3ccc(OCC(N)=O)cc3)c(C(=O)O)c(CC)nc2nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DCLK1 O15075 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
SCHEMBL8330039 0.84 MAPT (0.44) SYKMAPTKDM4EMAPK1CDC7
SCHEMBL8328465 0.83 PTGS2 (0.40) MAPTKDM4EKMT2APOLBOPRM1
SCHEMBL8327888 0.83 MAPT (0.38) MAPTKMT2APOLBMEN1MTOR
SCHEMBL8323960 0.79 MAPT (0.54) MAPTKDM4EKMT2AMEN1SLC2A1
Hydrochloric Acid SCHEMBL8325608 0.79 MAPT (0.53) MAPTKDM4EKMT2AMEN1SLC2A1
SCHEMBL8325273 0.78 CSF1R (0.39) MAPTKMT2ANPSR1MEN1ALDH1A1
SCHEMBL8330323 0.77 MAPK8 (0.42) MAPTLMNAMAPK8TP53SMN1; SMN2
SCHEMBL8325619 0.75 THRB (0.31) KMT2AMEN1STK3
SCHEMBL8329432 0.73 MAPT (0.55) MAPTKMT2AMEN1SLC2A1TP53
SCHEMBL8326891 0.73 MAPT (0.55) MAPTKMT2AMEN1SLC2A1TP53

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-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed