SCHEMBL30474828

SCHEMBL30474828

N=[S@@](=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cncnc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 11/20 0.58
▸ HDAC1 Q13547 13/20 0.58
▸ HDAC3 O15379 7/20 0.49

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
SCHEMBL25211974 1.00 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL25211667 1.00 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL25212554 1.00 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL25251026 0.92 HDAC2 (0.69) HDAC2HDAC1HDAC3
SCHEMBL30474784 0.91 HDAC2 (0.57) HDAC2HDAC1HDAC3
SCHEMBL25215995 0.91 HDAC2 (0.57) HDAC2HDAC1HDAC3
SCHEMBL25254895 0.90 HDAC2 (0.61) HDAC2HDAC1HDAC3
SCHEMBL31108968 0.90 HDAC2 (0.61) HDAC2HDAC1HDAC3
SCHEMBL25221582 0.89 HDAC1 (0.69) HDAC2HDAC1HDAC3
SCHEMBL30474660 0.89 HDAC1 (0.69) HDAC2HDAC1HDAC3

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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