SCHEMBL13465162

SCHEMBL13465162

CNc1ccc(C(=O)C(C)/C=C(C)/C=C/C(=O)NO)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.70
▸ HDAC4 P56524 12/20 0.70
▸ HDAC3 O15379 11/20 0.70
▸ HDAC7 Q8WUI4 11/20 0.70
▸ HDAC2 Q92769 11/20 0.70
▸ HDAC10 Q969S8 11/20 0.70
▸ HDAC8 Q9BY41 11/20 0.70
▸ HDAC6 Q9UBN7 11/20 0.70
▸ HDAC9 Q9UKV0 11/20 0.70
▸ HDAC5 Q9UQL6 11/20 0.70
▸ HDAC11 Q96DB2 10/20 0.70
▸ TOP2A P11388 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK2A3 Q8NEV1 1/20 0.34
▸ APP P05067 1/20 0.34

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
SCHEMBL1521164 1.00 HDAC1 (0.70) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1521160 1.00 HDAC1 (0.70) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1521161 0.88 HDAC1 (0.69) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1521166 0.88 HDAC1 (0.69) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1520815 0.85 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1520819 0.85 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL12195777 0.85 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13859920 0.85 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1520908 0.85 HDAC1 (0.65) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1520912 0.85 HDAC1 (0.65) HDAC1HDAC4HDAC3HDAC7HDAC2

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
US-20120264159-A1 SCREENING SYSTEM FOR MODULATORS OF HER2 MEDIATED TRANSCRIPTION AND HER2 MODULATORS IDENTIFED THEREBY BUCK INSTITUTE FOR AGE RESEARCH (US) 2012-10-18 — — US disclosed
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