SCHEMBL30724682

SCHEMBL30724682

Brc1ccc2c(c1)CC(Nc1ccccn1)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
GBA1 P04062 1/20 0.46
SORT1 Q99523 1/20 0.43
ROCK1 Q13464 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NOS2 P35228 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL15594516 0.84 HDAC8 (0.50) HDAC8HDAC6ROCK1MEN1KMT2A
SCHEMBL30724695 0.83 HDAC8 (0.50) HDAC8HDAC6GBA1
SCHEMBL7972733 0.82 HDAC8 (0.51) HDAC8HDAC6GBA1ROCK1HRH4
SCHEMBL30724688 0.81 GBA1 (0.47) HDAC8HDAC6GBA1ROCK1MEN1
SCHEMBL30724677 0.80 GBA1 (0.42) HDAC8HDAC6GBA1HRH4NOS2
SCHEMBL29771706 0.75 RAB9A (0.42) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL22057922 0.75 RAB9A (0.42) MEN1KMT2AHRH4NPC1RAB9A
SCHEMBL28658090 0.72 GBA1 (0.39) HDAC8HDAC6GBA1
SCHEMBL526424 0.71 NOS2 (0.55) HDAC8HDAC6MEN1KMT2ANPC1
SCHEMBL30724696 0.71 HDAC8 (0.44) HDAC8HDAC6GBA1MEN1KMT2A

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-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed