SCHEMBL30409726

SCHEMBL30409726

CC(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UCHL5 Q9Y5K5 2/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC1 Q13547 10/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC3 O15379 3/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ ATR Q13535 1/20 0.42
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 1/20 0.41

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
SCHEMBL24215838 1.00 UCHL5 (0.49) UCHL5NPC1RAB9ARXFP1TSHR
SCHEMBL25350937 0.92 HDAC6 (0.44) UCHL5HDAC1HDAC6HDAC3HDAC2
SCHEMBL25992763 0.92 HDAC1 (0.42) UCHL5HDAC1HDAC6HDAC3HDAC2
SCHEMBL25993017 0.91 KDM4E (0.52) UCHL5NPC1RAB9AHDAC1HDAC6
SCHEMBL24216545 0.90 KDM4E (0.44) UCHL5HDAC1HDAC6HDAC3HDAC2
SCHEMBL25352241 0.90 HDAC1 (0.42) UCHL5NPC1RAB9AHDAC1HDAC6
SCHEMBL30424907 0.90 UCHL5 (0.51) UCHL5NPC1RAB9ARXFP1TSHR
SCHEMBL25267677 0.90 UCHL5 (0.51) UCHL5NPC1RAB9ARXFP1TSHR
SCHEMBL30408994 0.90 HDAC1 (0.44) UCHL5HDAC1HDAC6HDAC3HDAC2
SCHEMBL25349206 0.90 HDAC1 (0.44) UCHL5HDAC1HDAC6HDAC3HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 — — CN disclosed
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