SCHEMBL30724696

SCHEMBL30724696

NNC(=O)c1ccc(NC2Cc3ccc(Br)cc3C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.44
PRMT5 O14744 1/20 0.44
OGG1 O15527 1/20 0.43
HCAR3 P49019 3/20 0.43
HDAC6 Q9UBN7 2/20 0.42
KDM4E B2RXH2 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
GBA1 P04062 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNQ3 O43525 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
SCHEMBL27195353 1.00 HDAC8 (0.44) HDAC8PRMT5OGG1HCAR3HDAC6
SCHEMBL23501005 0.87 HDAC1 (0.44) HDAC8PRMT5OGG1HDAC6KDM4E
SCHEMBL27195442 0.82 HDAC8 (0.40) HDAC8PRMT5HCAR3KDM4ENPC1
SCHEMBL30724674 0.75 SORT1 (0.42) HDAC8PRMT5HCAR3HDAC6GBA1
SCHEMBL27195343 0.75 SORT1 (0.42) HDAC8PRMT5HCAR3HDAC6GBA1
SCHEMBL22092818 0.75 HDAC6 (0.44) HDAC8PRMT5HCAR3HDAC6GBA1
SCHEMBL23501092 0.72 HDAC8 (0.41) HDAC8PRMT5HDAC6KDM4EGBA1
SCHEMBL29878495 0.72 HDAC8 (0.41) HDAC8PRMT5HDAC6KDM4EGBA1
SCHEMBL30724693 0.72 GAA (0.42) PRMT5MEN1NPC1RAB9AKMT2A
SCHEMBL27195418 0.72 GAA (0.42) PRMT5MEN1NPC1RAB9AKMT2A

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