SCHEMBL30474675

SCHEMBL30474675

CCN=S(C)(=O)c1ccc2sc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 16/20 0.44
▸ HDAC3 O15379 12/20 0.44
▸ HDAC1 Q13547 11/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL25252861 1.00 HDAC2 (0.44) HDAC2HDAC3HDAC1MEN1NPC1
SCHEMBL31108977 0.88 HDAC2 (0.50) HDAC2HDAC3HDAC1MEN1NPC1
SCHEMBL30474714 0.86 HDAC2 (0.52) HDAC2HDAC3HDAC1MEN1NPC1
SCHEMBL25249794 0.86 HDAC2 (0.52) HDAC2HDAC3HDAC1MEN1NPC1
SCHEMBL25214555 0.86 HDAC2 (0.45) HDAC2HDAC3HDAC1
SCHEMBL30474692 0.86 HDAC2 (0.45) HDAC2HDAC3HDAC1
SCHEMBL25223186 0.85 F10 (0.37) HDAC2HDAC1MEN1NPC1RAB9A
SCHEMBL25251173 0.83 HDAC2 (0.60) HDAC2HDAC3HDAC1KCNH2
SCHEMBL31108943 0.82 HDAC2 (0.48) HDAC2HDAC3HDAC1MEN1NPC1
SCHEMBL25208867 0.82 HDAC2 (0.49) HDAC2HDAC3HDAC1

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-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 — — EP disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 — — WO disclosed
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