SCHEMBL23638381

SCHEMBL23638381

Cc1ccc2nc(CCOc3ccccn3)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
PPARG P37231 3/20 0.45
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
PDE10A Q9Y233 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL24816122 0.74 NPC1 (0.47) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL23638356 0.74 NPC1 (0.47) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL25539221 0.74 PDE10A (0.46) MAPTPPARGNPC1RAB9APDE10A
SCHEMBL23638364 0.72 NPC1 (0.47) MAPTNPC1RAB9AACSS2PDE10A
SCHEMBL24816119 0.71 MAPT (0.53) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL23638355 0.70 NPC1 (0.44) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL24329944 0.70 NPC1 (0.49) MAPTPPARGNPC1RAB9ACDK9
SCHEMBL23638515 0.70 RAB9A (0.49) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL13777230 0.70 RAB9A (0.49) MAPTPPARGNPC1RAB9AACSS2
SCHEMBL11488783 0.69 MAPT (0.51) MAPTPPARGNPC1RAB9AACSS2

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
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed