SCHEMBL8327738

SCHEMBL8327738

CCOc1ccc2ncc(C(=O)O)c(Nc3ccc(Oc4ccccn4)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC2A1 P11166 1/20 0.40
PKM P14618 1/20 0.39
P2RX3 P56373 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8324672 0.91 MAPT (0.52) MAPTL3MBTL1SMN1; SMN2
SCHEMBL8329323 0.85 GAA (0.47) MAPTKMT2ANPSR1SLC2A1SMN1; SMN2
SCHEMBL8324676 0.84 P2RX3 (0.41) MAPTPDE10AKDM4EPOLBOPRM1
SCHEMBL8329171 0.84 MAPT (0.45) MAPTKDM4EPOLBOPRM1OPRD1
SCHEMBL8329163 0.82 GAA (0.51) POLBRAD52KMT2ANPSR1SMN1; SMN2
SCHEMBL8328001 0.82 MELK (0.47) MAPTPOLBKMT2A
SCHEMBL8327531 0.81 MAPT (0.43) MAPT
Hydrochloric Acid SCHEMBL9050309 0.80 MAPT (0.42) MAPTSLC2A1
SCHEMBL8329154 0.80 MAPT (0.42) MAPTKDM4EPOLBOPRM1OPRD1
Hydrochloric Acid SCHEMBL8326619 0.77 MAPT (0.54) MAPTKDM4EKMT2ANPSR1SLC2A1

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