SCHEMBL31108959

SCHEMBL31108959

CS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ncccn3)ccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 13/20 0.53
▸ HDAC1 Q13547 10/20 0.52
▸ HDAC3 O15379 5/20 0.52
▸ ATR Q13535 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL25242981 0.91 HDAC2 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL31109060 0.89 HDAC2 (0.56) HDAC2HDAC1HDAC3
SCHEMBL31108955 0.86 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL31109067 0.84 HDAC1 (0.64) HDAC2HDAC1HDAC3
SCHEMBL31109008 0.83 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL31109002 0.82 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL31109005 0.82 HDAC2 (0.57) HDAC2HDAC1HDAC3
SCHEMBL31108978 0.81 HDAC1 (0.73) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL31108962 0.81 HDAC1 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL25216137 0.80 HDAC2 (0.57) 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
Send feedback