SCHEMBL23638286

SCHEMBL23638286

Cc1ccc2nc(CN(C)C)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACSS2 Q9NR19 1/20 0.40
TSHR P16473 2/20 0.39
KCNH2 Q12809 1/20 0.39
PPARG P37231 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL23638515 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24329944 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13777230 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14685205 0.78 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2USP2MAPT
SCHEMBL23638379 0.78 NPC1 (0.38) NPC1RAB9ASMN1; SMN2USP2MAPT
SCHEMBL24816119 0.77 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL25539217 0.77 TP53 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24816122 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23638356 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23638517 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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