SCHEMBL21477013

SCHEMBL21477013

Nc1ccc([C@@H]2C#CC=CS2)cc1NC(=O)N1CC(F)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 20/20 0.60
▸ HDAC1 Q13547 13/20 0.60
▸ HDAC3 O15379 5/20 0.51

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
SCHEMBL13737863 0.75 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13735351 0.68 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18273899 0.65 HDAC2 (0.65) HDAC2HDAC1HDAC3
SCHEMBL13735747 0.62 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833403 0.61 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13737491 0.61 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833412 0.59 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18374869 0.59 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18273910 0.59 HDAC2 (0.80) HDAC2HDAC1HDAC3
SCHEMBL13833354 0.58 HDAC2 (0.69) 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
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 — — EP disclosed
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