SCHEMBL30470780

SCHEMBL30470780

CCN(CC)Cc1nc2cc(C3=NC[C@@H](C)CC3)ccc2s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL29081910 1.00 HDAC6 (0.35) HDAC6HTTNPC1GAAMAPK1
SCHEMBL24366820 1.00 HDAC6 (0.35) HDAC6HTTNPC1GAAMAPK1
SCHEMBL24367600 0.89 HDAC6 (0.32) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL32689101 0.89 HDAC6 (0.32) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL24366026 0.89 HDAC6 (0.32) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL30471172 0.89 HDAC6 (0.32) HDAC6NPC1GAAMAPK1RAB9A
SCHEMBL24364706 0.87 HDAC6 (0.33) HDAC6
SCHEMBL29081812 0.87 HDAC6 (0.33) HDAC6
SCHEMBL30470714 0.87 HDAC6 (0.33) HDAC6
SCHEMBL32689015 0.85 HDAC6 (0.41) HDAC6

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-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
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