SCHEMBL25624792

SCHEMBL25624792

Fc1ccc(-c2ccc3oc(-c4ccc(N5CCCC5)nc4)nc3c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.61
▸ MAOB P27338 6/20 0.46
▸ S1PR1 P21453 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ACVR1 Q04771 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FAAH O00519 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
SCHEMBL25624696 0.91 HDAC6 (0.53) HDAC6MAOBHRH3CNR2TLR9
SCHEMBL25625116 0.87 HDAC6 (0.66) HDAC6MAOBCNR2TLR9TLR8
SCHEMBL25625096 0.79 HDAC6 (0.54) HDAC6MAOBCNR2TLR9TLR8
SCHEMBL15676237 0.79 HDAC6 (0.60) HDAC6MAOBCNR2TLR9KDM4E
SCHEMBL1675444 0.79 HDAC6 (0.79) HDAC6KDM4ENPC1RAB9A
SCHEMBL23327551 0.78 HDAC6 (0.59) HDAC6MAOBCNR2TLR9KDM4E
SCHEMBL25624795 0.78 HRH3 (0.44) HDAC6MAOBS1PR1HRH3TLR9
SCHEMBL1675736 0.78 HDAC6 (0.77) HDAC6MAOBCNR2KDM4ENPC1
SCHEMBL2244678 0.77 SMN1; SMN2 (0.55) KDM4ENPC1RAB9A
SCHEMBL1675408 0.76 HDAC6 (0.76) HDAC6NPC1RAB9A

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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