SCHEMBL8329154

SCHEMBL8329154

CCOc1ccc2ncc(C(=O)O)c(Nc3ccc(OCC(O)CO)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC2A1 P11166 1/20 0.38
PAX8 Q06710 1/20 0.37
DYRK1A Q13627 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
SCHEMBL8325375 0.91 MAPT (0.53) MAPTNPC1KMT2ASMN1; SMN2SLC2A1
SCHEMBL8329171 0.88 MAPT (0.45) MAPTNPC1KDM4EPOLBOPRM1
SCHEMBL8329323 0.85 GAA (0.47) MAPTNPC1KMT2ANPSR1SMN1; SMN2
SCHEMBL8331716 0.84 MAPT (0.37) MAPTKDM4EPOLBOPRM1OPRD1
SCHEMBL8327531 0.83 MAPT (0.43) MAPT
Hydrochloric Acid SCHEMBL9050309 0.82 MAPT (0.42) MAPTSLC2A1
SCHEMBL8328001 0.82 MELK (0.47) MAPTPOLBKMT2APAX8DYRK1A
SCHEMBL8327738 0.80 MAPT (0.41) MAPTKDM4EPOLBOPRM1OPRD1
SCHEMBL8329418 0.78 MAPT (0.57) MAPTNPC1SMN1; SMN2PAX8DYRK1A
Hydrochloric Acid SCHEMBL8326208 0.77 MAPT (0.56) MAPTNPC1SMN1; SMN2PAX8DYRK1A

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