SCHEMBL9018416

SCHEMBL9018416

C[n+]1ccc(C#N)cc1.Fc1c(F)c(F)c(-c2ccccc2[B-](c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.50
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL577736 0.77 HDAC8 (0.67) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL5455838 0.71 — —
SCHEMBL6238003 0.71 HDAC8 (0.67) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL5831783 0.69 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL7051892 0.69 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL23131037 0.69 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL23131038 0.69 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL8336432 0.65 HDAC8 (0.69) HDAC8TSHR
SCHEMBL23131039 0.64 HDAC8 (0.82) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL31034828 0.61 HDAC8 (0.75) HDAC8TSHR

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
EP-0748825-A2 Ethylene-alpha-olefin-non-conjugated diene copolymer rubber JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-12-18 — — EP disclosed
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