SCHEMBL20490486

SCHEMBL20490486

N#Cc1ccccc1-c1ccc(C(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 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
ESR2 Q92731 1/20 0.50
MME P08473 1/20 0.45
PTPN5 P54829 1/20 0.44
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
CTSD P07339 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41

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
SCHEMBL20490507 0.88 HDAC4 (0.54) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2842461 0.78 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490457 0.78 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490215 0.78 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL11840187 0.77 ESR2 (0.56) ESR2MMEPTPN5FFAR1AKR1B1
SCHEMBL2839032 0.76 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2839404 0.76 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL11795905 0.75 ESR2 (0.54) ESR2MMEPTPN5FFAR1AKR1B1
SCHEMBL20490371 0.75 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2843752 0.75 FFAR1 (0.57) 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