SCHEMBL5290880

SCHEMBL5290880

CN(C(=O)O)c1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6037950 0.84 TP53 (0.38) TP53LMNAMAPTGAAHTT
SCHEMBL5280650 0.83 RAB9A (0.45) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL5286061 0.82 ALDH1A1 (0.55) TP53LMNAMAPTGAAPOLB
SCHEMBL5282822 0.82 HDAC1 (0.46) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL6038118 0.82 HDAC1 (0.39) TP53LMNAMEN1KMT2ARAB9A
SCHEMBL5290863 0.81 HDAC1 (0.44) TP53LMNAMAPTGAAHTT
SCHEMBL5282375 0.81 AOC3 (0.47) TP53LMNAKMT2ARAB9A
SCHEMBL5282979 0.81 TP53 (0.43) TP53LMNAMAPTRAB9AGAA
SCHEMBL5275941 0.80 TP53 (0.55) TP53LMNAMAPTGAAPOLB
SCHEMBL5277732 0.80 RAB9A (0.50) TP53LMNAMAPTMEN1KMT2A

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed