SCHEMBL21975926

SCHEMBL21975926

CONc1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.65
▸ HDAC3 O15379 9/20 0.59
▸ HDAC1 Q13547 8/20 0.59
▸ HDAC8 Q9BY41 8/20 0.59
▸ HDAC2 Q92769 6/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL18229661 0.82 HDAC6 (0.73) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229533 0.81 HDAC6 (0.75) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229605 0.81 HDAC6 (0.71) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL21976290 0.80 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229591 0.79 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229658 0.77 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL21976472 0.77 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229582 0.77 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL21976298 0.76 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229490 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2

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
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 — — EP disclosed
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