SCHEMBL8329171

SCHEMBL8329171

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 1/20 0.41
SLC2A1 P11166 1/20 0.41
MELK Q14680 1/20 0.41
PAX8 Q06710 1/20 0.40

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
SCHEMBL8329418 0.90 MAPT (0.57) MAPTNPC1SMN1; SMN2DYRK1APAX8
SCHEMBL8329323 0.90 GAA (0.47) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8327531 0.89 MAPT (0.43) MAPTMELK
Hydrochloric Acid SCHEMBL8326208 0.89 MAPT (0.56) MAPTNPC1SMN1; SMN2DYRK1APAX8
Hydrochloric Acid SCHEMBL9050309 0.88 MAPT (0.42) MAPTSLC2A1MELK
SCHEMBL8329154 0.88 MAPT (0.42) MAPTKDM4ENPC1SMN1; SMN2POLB
SCHEMBL8328001 0.86 MELK (0.47) MAPTPOLBKMT2ADYRK1AMELK
SCHEMBL8327738 0.84 MAPT (0.41) MAPTKDM4ESMN1; SMN2POLBOPRM1
SCHEMBL8330060 0.83 MAPT (0.39) MAPTKDM4ENPC1SMN1; SMN2POLB
SCHEMBL8324824 0.81 GAA (0.50) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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