SCHEMBL25624696

SCHEMBL25624696

Fc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)oc3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.53
▸ MAOB P27338 10/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ACVR1 Q04771 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ TLR9 Q9NR96 3/20 0.41
▸ TLR7 Q9NYK1 3/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL25624792 0.91 HDAC6 (0.61) HDAC6MAOBHRH3ACVR1CNR2
SCHEMBL25624795 0.87 HRH3 (0.44) HDAC6MAOBHRH3TLR9TLR7
SCHEMBL25625025 0.82 HDAC6 (0.59) HDAC6MAOBCNR2TLR9TLR7
SCHEMBL15676237 0.79 HDAC6 (0.60) HDAC6MAOBCNR2TLR9KDM4E
SCHEMBL23327551 0.78 HDAC6 (0.59) HDAC6MAOBCNR2TLR9KDM4E
SCHEMBL25625116 0.78 HDAC6 (0.66) HDAC6MAOBACVR1CNR2TLR9
SCHEMBL1675284 0.78 HDAC6 (0.65) HDAC6MAOBCNR2
SCHEMBL1675467 0.76 HDAC6 (0.63) HDAC6MAOB
SCHEMBL30771676 0.76 MAOB (0.44) MAOBHRH3CNR2KDM4E
SCHEMBL1675444 0.72 HDAC6 (0.79) HDAC6KDM4E

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
WO-2023109745-A1 SMALL-MOLECULE PROBE FOR IMAGING OF α-SYNUCLEIN AGGREGATE 复旦大学 2023-06-22 — — WO disclosed
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