SCHEMBL28786192

SCHEMBL28786192

CCCCOC(=O)Nc1ccc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
TSHR P16473 1/20 0.47
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
TP53 P04637 2/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL30828341 0.84 APP (0.53) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23364361 0.84 APP (0.53) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29874189 0.84 APP (0.53) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30006266 0.83 APP (0.55) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27173183 0.83 APP (0.55) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28786197 0.82 MAPT (0.47) APPTSHRMAPTSMN1; SMN2NPC1
SCHEMBL26518067 0.79 APP (0.57) APPMAPT
SCHEMBL28944764 0.77 APP (0.45) APPMAPTGAA
SCHEMBL29453158 0.76 MAPT (0.57) APPMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23364355 0.76 MAPT (0.57) APPMAPTSMN1; SMN2NPC1RAB9A

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
CN-114728071-A Compound for degrading TAU protein aggregate and application thereof 新旭生技股份有限公司 2022-07-08 CN disclosed