SCHEMBL28335121

SCHEMBL28335121

COc1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.67
SLC16A1 P53985 2/20 0.67
ALDH1A1 P00352 2/20 0.54
CISD1 Q9NZ45 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL7008415 0.92 SLC16A3 (0.57) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL15664397 0.90 SLC16A3 (0.55) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL15664396 0.90 SLC16A3 (0.55) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL23219396 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL11965432 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL15128919 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL12672948 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL10071971 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL12672951 0.89 SLC16A3 (0.63) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL11988514 0.89 ALDH1A1 (0.55) SLC16A3SLC16A1ALDH1A1CISD1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702337-A Functional member and chemical substance sensor provided with same 松下知识产权经营株式会社 2023-02-14 CN disclosed
CN-110418781-A Complex crystal and chemical sensor provided with same PANASONIC CORP 2019-11-05 CN disclosed