SCHEMBL8329323

SCHEMBL8329323

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CSF1R P07333 2/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4B Q07343 1/20 0.43
PAX8 Q06710 1/20 0.43
PIK3CA P42336 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
SLC2A1 P11166 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8324824 0.91 GAA (0.50) GAASMN1; SMN2CSF1RNPC1ALDH1A1
SCHEMBL8329171 0.90 MAPT (0.45) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL8325775 0.90 MAPT (0.56) GAASMN1; SMN2MAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL8330855 0.89 MAPT (0.56) GAASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL8328001 0.88 MELK (0.47) MAPTPAX8PIK3CAMEN1KMT2A
Hydrochloric Acid SCHEMBL8330455 0.88 MAPT (0.55) GAASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL8327531 0.87 MAPT (0.43) MAPT
SCHEMBL8329163 0.86 GAA (0.51) GAASMN1; SMN2CSF1RNPC1ALDH1A1
Hydrochloric Acid SCHEMBL9050309 0.86 MAPT (0.42) MAPTSLC2A1
SCHEMBL8329154 0.85 MAPT (0.42) SMN1; SMN2MAPTNPC1NPSR1PAX8

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