SCHEMBL30474692

SCHEMBL30474692

CS(=O)(=NC1CC1)c1ccc2sc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 18/20 0.45
▸ HDAC3 O15379 14/20 0.45
▸ HDAC1 Q13547 13/20 0.44

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
SCHEMBL25214555 1.00 HDAC2 (0.45) HDAC2HDAC3HDAC1
SCHEMBL31108977 0.86 HDAC2 (0.50) HDAC2HDAC3HDAC1
SCHEMBL30474675 0.86 HDAC2 (0.44) HDAC2HDAC3HDAC1
SCHEMBL25252861 0.86 HDAC2 (0.44) HDAC2HDAC3HDAC1
SCHEMBL25214954 0.86 MMP8 (0.36) HDAC2HDAC1
SCHEMBL31109072 0.85 HDAC2 (0.48) HDAC2HDAC3HDAC1
SCHEMBL25249794 0.85 HDAC2 (0.52) HDAC2HDAC3HDAC1
SCHEMBL30474714 0.85 HDAC2 (0.52) HDAC2HDAC3HDAC1
SCHEMBL25249960 0.84 HDAC2 (0.57) HDAC2HDAC3HDAC1
SCHEMBL25256265 0.83 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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