SCHEMBL24330834

SCHEMBL24330834

Cn1c(CN)nc2ccc(S)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
PKM P14618 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24329944 0.81 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL13604061 0.80 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL24329871 0.80 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL13060358 0.80 PPARG (0.36) NPC1RAB9ASMN1; SMN2GAALMNA
SCHEMBL13604063 0.78 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2929122 0.75 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL5206474 0.74 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL5008245 0.74 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL22606671 0.72 ALOX15 (0.53) MAPTNPC1RAB9APPARGHDAC6
SCHEMBL10281995 0.71 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2GAA

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-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed