SCHEMBL28763516

SCHEMBL28763516

CCC12SC1C=Cc1ccccc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL9169711 0.69 KDM4E (0.33) KDM4EPKM
SCHEMBL28021929 0.64 KDM4E (0.40) KDM4EPKM
SCHEMBL4660513 0.63 KDM4E (0.37) KDM4EPKM
SCHEMBL7649583 0.62 KDM4E (0.31) KDM4EPKM
SCHEMBL7326617 0.62 KDM4E (0.56) KDM4EPKM
Hydrochloric Acid SCHEMBL7200935 0.61 OXTR (0.33) KDM4EPKM
SCHEMBL27688571 0.61 KDM4E (0.35) KDM4EPKM
SCHEMBL11503389 0.61 KDM4E (0.35) KDM4EPKM
SCHEMBL18394586 0.61 KDM4E (0.32) KDM4EPKM
SCHEMBL15716844 0.59 PDK2 (0.34) KDM4EPKM

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-114634432-B High-efficiency synthesis method of alkyl aryl thioether compound 润药仁智(北京)科技有限公司 2023-03-14 CN disclosed
CN-114634432-A High-efficiency synthesis method of alkyl aryl thioether compound 北京大学 2022-06-17 CN disclosed