SCHEMBL20490482

SCHEMBL20490482

CCS(=O)(=O)c1ccc(-c2cccc(C(C(=O)NO)c3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
MMP2 P08253 6/20 0.49
MMP9 P14780 6/20 0.49
MMP1 P03956 4/20 0.49
MMP14 P50281 4/20 0.49
MMP3 P08254 2/20 0.49
MMP13 P45452 2/20 0.49
MMP7 P09237 1/20 0.49
RORC P51449 3/20 0.47
ADAM17 P78536 1/20 0.46

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
SCHEMBL2844489 0.88 HDAC4 (0.54) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490171 0.85 HDAC4 (0.51) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2870552 0.84 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490229 0.84 HDAC4 (0.55) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490367 0.82 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490593 0.81 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490478 0.81 HDAC4 (0.55) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490201 0.81 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490492 0.81 HDAC4 (0.51) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490162 0.81 HDAC4 (0.51) HDAC4HDAC7HDAC5HDAC3HDAC1

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