SCHEMBL7023747

SCHEMBL7023747

O=C(O)CCNC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC2 Q92769 5/20 0.65
HDAC3 O15379 4/20 0.65
HDAC4 P56524 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
CTNNB1 P35222 4/20 0.56
WNT3A P56704 4/20 0.56
SMYD3 Q9H7B4 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GCGR P47871 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48

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
SCHEMBL13314553 0.87 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8532983 0.85 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1222503 0.85 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10272693 0.84 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13295906 0.84 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12821432 0.82 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20616724 0.81 ESR1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8532136 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7218629 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9479087 0.81 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7

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-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed