SCHEMBL21976472

SCHEMBL21976472

CONc1cccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 19/20 0.70
▸ HDAC3 O15379 6/20 0.70
▸ HDAC1 Q13547 6/20 0.70
▸ HDAC8 Q9BY41 6/20 0.70
▸ HDAC2 Q92769 4/20 0.70
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL21976290 0.87 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229603 0.85 HDAC6 (0.86) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18237041 0.84 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229678 0.83 HDAC6 (0.81) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229475 0.82 HDAC6 (0.86) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL20088848 0.82 HDAC6 (0.78) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229615 0.82 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18237054 0.82 HDAC6 (0.95) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229659 0.82 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229717 0.81 HDAC6 (0.78) 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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