SCHEMBL20490331

SCHEMBL20490331

Cc1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.54
HDAC7 Q8WUI4 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
HDAC3 O15379 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
S1PR3 Q99500 3/20 0.42
LMNA P02545 2/20 0.42
HTR1E P28566 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL20490461 0.93 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490201 0.85 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490545 0.85 HDAC4 (0.55) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490372 0.84 ALDH1A1 (0.52) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490367 0.84 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490427 0.84 HDAC4 (0.61) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL2870552 0.83 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490343 0.82 HDAC4 (0.62) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490391 0.82 HDAC4 (0.62) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490387 0.82 HDAC4 (0.55) HDAC4HDAC7HDAC5HDAC3HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed