SCHEMBL3847254

SCHEMBL3847254

NC(=O)CC(CC(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.58
▸ HDAC4 P56524 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC11 Q96DB2 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58
▸ FNTA P49354 12/20 0.54
▸ FNTB P49356 12/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KDM1A O60341 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL12442271 0.87 FNTA (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9105247 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ERECQLLMNA
SCHEMBL7278612 0.82 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9394251 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5717673 0.80 GAA (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805762 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828250 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27814502 0.79 GABBR2 (0.69) ALDH1A1KDM4ERECQLLMNA
SCHEMBL12585094 0.77 FNTA (0.85) FNTAFNTBALDH1A1KDM4ERECQL
SCHEMBL6102382 0.77 ALPL (0.45) FNTAFNTBALDH1A1KDM4ERECQL

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-2099815-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS Acure Pharma AB (SE) 2009-09-16 — — EP disclosed
WO-2008058679-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ACURE PHARMA AB (SE) 2008-05-22 — — WO disclosed
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