SCHEMBL30860724

SCHEMBL30860724

Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Cu-])c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL30472444 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL318571 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL28476099 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL29151039 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL29445002 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL18179634 0.76 KDM4E (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL14024390 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL13721744 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL2800812 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL13721746 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT

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-107793437-B 3-Coordinated copper (I) -carbene complexes 南加利福尼亚大学 2024-05-24 CN claimed