SCHEMBL26523519

SCHEMBL26523519

CSc1ccc(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAP1LC3B Q9GZQ8 7/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL21821814 0.88 MAP1LC3B (0.45) ALDH1A1MAP1LC3BSLC18A3LMNAMEN1
SCHEMBL21821572 0.88 SLC18A3 (0.41) ALDH1A1MAP1LC3BSLC18A3LMNAMEN1
SCHEMBL21821781 0.87 ALDH1A1 (0.38) ALDH1A1MAP1LC3BSLC18A3LMNAMEN1
SCHEMBL21821754 0.86 MAP1LC3B (0.44) ALDH1A1MAP1LC3BSLC18A3MEN1KMT2A
SCHEMBL21821591 0.85 SLC18A3 (0.50) ALDH1A1MAP1LC3BSLC18A3MEN1KMT2A
SCHEMBL26523529 0.85 ALDH1A1 (0.37) ALDH1A1MAP1LC3BSLC18A3LMNAMEN1
SCHEMBL21821841 0.84 SLC9A3 (0.36) ALDH1A1MAP1LC3BSLC18A3LMNAMEN1
SCHEMBL22111740 0.84 CYP3A4 (0.37) ALDH1A1SLC18A3MEN1KMT2A
SCHEMBL21821837 0.83 DRD2 (0.36) ALDH1A1MAP1LC3B
SCHEMBL21821839 0.83 KDM1A (0.37) ALDH1A1MAP1LC3BSLC18A3MEN1KMT2A

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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