SCHEMBL29623795

SCHEMBL29623795

COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4ccc(C=C(C#N)C(=O)O)cc4o3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.48
SLC16A1 P53985 3/20 0.48
APP P05067 3/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL18838100 1.00 SLC16A3 (0.48) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL18838101 1.00 SLC16A3 (0.48) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL18838109 0.94 APP (0.45) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL18838111 0.94 APP (0.45) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL29623739 0.94 APP (0.45) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL21860493 0.94 APP (0.45) SLC16A3SLC16A1APPALDH1A1EGFR
SCHEMBL25470670 0.89 S100A4 (0.42) SLC16A3SLC16A1EGFR
SCHEMBL18838138 0.89 MAPT (0.48) SLC16A3SLC16A1ALDH1A1EGFR
SCHEMBL18867245 0.89 MAPT (0.48) SLC16A3SLC16A1ALDH1A1EGFR
SCHEMBL18838135 0.89 MAPT (0.48) SLC16A3SLC16A1ALDH1A1EGFR

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
CN-108699019-B Benzofuran derivatives useful in the treatment of central nervous system and other diseases 华纳巴布科克绿色化学学院有限公司 2022-05-10 CN disclosed