SCHEMBL29503162

SCHEMBL29503162

NC(=O)c1ccc2ccsc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
CHRNA7 P36544 4/20 0.45
HTR3A P46098 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
PARP1 P09874 2/20 0.42
DYRK1A Q13627 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL3354553 1.00 LCK (0.48) LCKCHRNA7HTR3AHTR3EHTR3B
SCHEMBL3352794 0.85 CTNNB1 (0.57) LCKCHRNA7HTR3APARP1DYRK1A
SCHEMBL29503181 0.85 CTNNB1 (0.57) LCKCHRNA7HTR3APARP1DYRK1A
SCHEMBL1891764 0.82 MRGPRX4 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL30445266 0.82 MRGPRX4 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL5591790 0.81 PLAU (0.50) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL19756724 0.81 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL3797885 0.81 CA2 (0.49) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL31483491 0.81 MRGPRX4 (0.54) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL9431571 0.79 PLAU (0.48) PLAU

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-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed