SCHEMBL26523529

SCHEMBL26523529

O=[S+]c1ccc(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAP1LC3B Q9GZQ8 9/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL21821781 0.89 ALDH1A1 (0.38) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL21821754 0.88 MAP1LC3B (0.44) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL21821814 0.88 MAP1LC3B (0.45) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL21821591 0.87 SLC18A3 (0.50) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL22111740 0.85 CYP3A4 (0.37) ALDH1A1SLC18A3MEN1KMT2AADRA1A
SCHEMBL21821914 0.85 SLC6A5 (0.39) ALDH1A1SLC18A3MEN1KMT2ALMNA
SCHEMBL21821839 0.85 KDM1A (0.37) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL26523519 0.85 ALDH1A1 (0.43) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL21821626 0.84 MAPK11 (0.38) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B
SCHEMBL21821841 0.84 SLC9A3 (0.36) ALDH1A1SLC18A3MEN1KMT2AMAP1LC3B

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
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
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