SCHEMBL8328970

SCHEMBL8328970

CCOc1ccc2nc(CC)c(C(=O)O)c(Nc3ccc(OC)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
RAD52 P43351 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
KDM1A O60341 1/20 0.39
GFER P55789 1/20 0.39
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 4/20 0.38
P2RX3 P56373 1/20 0.38
TERT O14746 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
SCHEMBL8329541 0.93 HDAC1 (0.43) MAPTKMT2AMEN1GAAPOLB
SCHEMBL8330060 0.89 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL8328444 0.88 MAPT (0.42) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL8324460 0.87 HRH3 (0.41) MAPTKMT2AKDM4EPOLBRAD52
SCHEMBL8327229 0.86 KMT2A (0.41) MAPTKMT2AMEN1GAAPOLB
SCHEMBL8324676 0.86 P2RX3 (0.41) MAPTKMT2AKDM4EPOLBRAD52
SCHEMBL8331716 0.86 MAPT (0.37) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL8326172 0.84 HDAC3 (0.43) PDE4DKMT2AMEN1GAAPOLB
SCHEMBL8329323 0.81 GAA (0.47) PDE4BMAPTKMT2AMEN1GAA
SCHEMBL8325775 0.76 MAPT (0.56) PDE4BMAPTKMT2AMEN1GAA

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