SCHEMBL25530815

SCHEMBL25530815

Nc1ccc(Br)c2c1OCCC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.34
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL31039563 1.00 ACHE (0.34) ACHEIL1RNERAP2ERAP1LMNA
SCHEMBL18181738 0.89 LMNA (0.36) IL1RNERAP2ERAP1LMNAMAPT
SCHEMBL17712111 0.85 ACHE (0.34) ACHELMNAMAPT
SCHEMBL21752368 0.79 ACHE (0.35) ACHE
SCHEMBL24969045 0.78 MAOA (0.33)
SCHEMBL25713419 0.78 ACHE (0.34) ACHE
SCHEMBL34464431 0.75 PDE4A (0.31)
SCHEMBL17041206 0.74 MAPT (0.35) LMNAMAPT
SCHEMBL29661294 0.74 MAPT (0.35) LMNAMAPT
SCHEMBL21955253 0.74 SLC5A1 (0.30)

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-2023078411-A1 AZASPIRO COMPOUND 南京明德新药研发有限公司 2023-05-11 WO disclosed