SCHEMBL29014462

SCHEMBL29014462

CC(C)(C)C#CSc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL7446590 0.78 HPGD (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9421933 0.77 HPGD (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL6240256 0.69 — —
SCHEMBL28998797 0.69 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL10516152 0.69 HPGD (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL7557341 0.69 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL28902312 0.68 CYP2D6 (0.44) HSD17B10ALDH1A1MAOAMAOBLMNA
SCHEMBL25898771 0.68 MAPT (0.36) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL7552481 0.67 APP (0.52) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL2077303 0.66 HPGD (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082296-B Method for preparing 3-halogenated benzothiophene compound by monopersulfate catalysis method 浙江医药股份有限公司新昌制药厂 2024-10-29 — — CN disclosed
CN-116082296-A Method for preparing 3-halogenated benzothiophene compound by potassium monopersulfate catalysis method 浙江医药股份有限公司新昌制药厂 2023-05-09 — — CN disclosed
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