SCHEMBL30140447

SCHEMBL30140447

O=S(=O)(O)CC[C@H]1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.32
MAOA P21397 2/20 0.32
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL9050598 1.00 AOC2 (0.32) AOC2MAOAPTGS1PDE4ALMNA
SCHEMBL2572863 0.88 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2573293 0.88 APP (0.34) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL21216764 0.80 AOC2 (0.32) AOC2MAOA
SCHEMBL23160212 0.79 INPP5A (0.44) AOC2MAOA
SCHEMBL1647665 0.79 INPP5A (0.44) AOC2MAOA
SCHEMBL23012533 0.79 INPP5A (0.44) AOC2MAOA
SCHEMBL2570161 0.78 APP (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL6962289 0.78 INPP5A (0.42) AOC2MAOA
SCHEMBL29086645 0.76 AOC2 (0.32) AOC2MAOA

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed