SCHEMBL28870384

SCHEMBL28870384

COc1c(Br)c(Br)c(Br)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.57
CA1 P00915 10/20 0.57
CA4 P22748 8/20 0.57
CA6 P23280 6/20 0.57
PTPN1 P18031 2/20 0.55
CA12 O43570 3/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL17910254 0.96 CA2 (0.60) CA2CA1CA4CA6PTPN1
SCHEMBL9549793 0.89 CA2 (0.52) CA2CA1CA4CA6PTPN1
SCHEMBL11103320 0.89 CA2 (0.52) CA2CA1CA4CA6PTPN1
SCHEMBL17910250 0.85 CA2 (0.55) CA2CA1CA4CA6PTPN1
SCHEMBL28051576 0.85 CA2 (0.55) CA2CA1CA4CA6PTPN1
SCHEMBL11430277 0.78 PTPN1 (0.48) CA2CA1CA4CA6PTPN1
SCHEMBL27911882 0.78 CA2 (0.50) CA2CA1CA4CA6PTPN1
SCHEMBL1275689 0.78 CA2 (0.44) CA2CA1CA4CA6PTPN1
SCHEMBL28669928 0.77 CA2 (0.48) CA2CA1CA4CA6PTPN1
SCHEMBL8250446 0.76 CA2 (0.42) CA2CA1CA4CA6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093572-A Polypyridine ring metal iridium supramolecular material, preparation method and application 广州大学 2022-09-23 CN claimed
CN-115093572-B Polypyridine ring metal iridium supermolecular material, preparation method and application 广州大学 2023-05-26 CN disclosed
CN-115093572-A Polypyridine ring metal iridium supramolecular material, preparation method and application 广州大学 2022-09-23 CN disclosed