SCHEMBL31109057

SCHEMBL31109057

Nc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 14/20 0.56
▸ HDAC1 Q13547 8/20 0.56
▸ HDAC3 O15379 2/20 0.51
▸ CCR6 P51684 1/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ SMO Q99835 1/20 0.46
▸ SCN9A Q15858 1/20 0.46

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
SCHEMBL25253065 0.91 HDAC2 (0.54) HDAC2HDAC1HDAC3MAPK14SMO
SCHEMBL31109060 0.86 HDAC2 (0.56) HDAC2HDAC1HDAC3MAPK14SMO
SCHEMBL25216137 0.84 HDAC2 (0.57) HDAC2HDAC1HDAC3MAPK14SMO
SCHEMBL31108947 0.83 HDAC1 (0.62) HDAC2HDAC1HDAC3
SCHEMBL4581926 0.81 HDAC1 (0.61) HDAC2HDAC1HDAC3SCN9A
SCHEMBL31108956 0.81 HDAC2 (0.67) HDAC2HDAC1HDAC3
SCHEMBL4580439 0.80 HDAC2 (0.61) HDAC2HDAC1HDAC3SCN9A
SCHEMBL4581539 0.80 HDAC2 (0.60) HDAC2HDAC1HDAC3SCN9A
SCHEMBL4581532 0.80 HDAC2 (0.60) HDAC2HDAC1HDAC3SCN9A
SCHEMBL4580443 0.80 HDAC2 (0.61) HDAC2HDAC1HDAC3SCN9A

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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