SCHEMBL31109002

SCHEMBL31109002

CS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cncnc3)ccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 12/20 0.53
▸ HDAC1 Q13547 12/20 0.53
▸ HDAC3 O15379 4/20 0.53

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
SCHEMBL25214963 0.91 HDAC1 (0.51) HDAC2HDAC1HDAC3
SCHEMBL31109067 0.88 HDAC1 (0.64) HDAC2HDAC1HDAC3
SCHEMBL31108955 0.87 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL31109008 0.84 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL31108962 0.84 HDAC1 (0.51) HDAC2HDAC1HDAC3
SCHEMBL31109005 0.83 HDAC2 (0.57) HDAC2HDAC1HDAC3
SCHEMBL1066431 0.82 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL31108959 0.82 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL12933388 0.81 HDAC2 (0.72) HDAC2HDAC1HDAC3
SCHEMBL31109065 0.81 HDAC1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 — — CN disclosed
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