SCHEMBL8328465

SCHEMBL8328465

CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)c(CC)nc2nc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
P2RX3 P56373 15/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 1/20 0.36
SLC2A1 P11166 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL8327174 0.86 P2RX3 (0.43) PTGS2P2RX3
SCHEMBL8329674 0.85 MAPT (0.43) PTGS2P2RX3KDM4EPOLBMAPT
SCHEMBL8328091 0.83 SYK (0.38) KDM4EPOLBMAPTOPRM1OPRD1
SCHEMBL8327888 0.82 MAPT (0.38) POLBMAPTKMT2ADHODHPDE10A
SCHEMBL8328461 0.81 MAPT (0.52) PTGS2MAPT
Hydrochloric Acid SCHEMBL8328640 0.80 MAPT (0.51) PTGS2KDM4EMAPT
SCHEMBL8330323 0.80 MAPK8 (0.42) MAPTPDE10A
SCHEMBL8324676 0.78 P2RX3 (0.41) P2RX3KDM4EPOLBMAPTOPRM1
SCHEMBL8325406 0.77 PDE10A (0.41) PTGS2P2RX3KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL8468831 0.75 PDE10A (0.42) PTGS2P2RX3KDM4EPOLBMAPT

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