SCHEMBL31109067

SCHEMBL31109067

CS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.64
▸ HDAC2 Q92769 8/20 0.64
▸ HDAC3 O15379 7/20 0.64
▸ KCNH2 Q12809 1/20 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
SCHEMBL25221696 0.92 HDAC1 (0.61) HDAC1HDAC2HDAC3KCNH2
SCHEMBL30474790 0.92 HDAC1 (0.61) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4581935 0.89 HDAC1 (0.79) HDAC1HDAC2HDAC3KCNH2
SCHEMBL31109002 0.88 HDAC2 (0.53) HDAC1HDAC2HDAC3
SCHEMBL31108955 0.86 HDAC2 (0.70) HDAC1HDAC2HDAC3
SCHEMBL4578711 0.86 HDAC1 (0.84) HDAC1HDAC2HDAC3KCNH2
SCHEMBL31108947 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL4579434 0.85 HDAC1 (0.70) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4580198 0.85 HDAC1 (0.82) HDAC1HDAC2HDAC3KCNH2
SCHEMBL31108959 0.84 HDAC2 (0.53) HDAC1HDAC2HDAC3

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
Send feedback