SCHEMBL461269

SCHEMBL461269

O=C(O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)c(Cl)c1)CN2

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.85
PYGL P06737 2/20 0.50
PYGM P11217 2/20 0.50
TSHR P16473 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SRD5A2 P31213 1/20 0.40

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
SCHEMBL441671 0.92 HDAC8 (1.00) HDAC8PYGLPYGMTAS1R3TAS1R2
SCHEMBL445525 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC6
SCHEMBL462374 0.79 HDAC8 (0.86) HDAC8TSHRMEN1MAPK1KMT2A
SCHEMBL444288 0.77 HDAC8 (1.00) HDAC8MEN1KMT2AHDAC1HDAC6
SCHEMBL649195 0.73 HDAC8 (0.60) HDAC8EPHX2MAPK1
SCHEMBL441672 0.73 HDAC8 (0.48) HDAC8PYGLPYGMTSHRTAS1R3
SCHEMBL30372190 0.72 KDM4E (0.54) HDAC8KDM4EMAPTSRD5A2
SCHEMBL2104667 0.72 HDAC8 (0.55) HDAC8PYGLPYGMTAS1R3EPHX2
SCHEMBL5188022 0.71 HDAC8 (0.62) HDAC8PYGLPYGMEPHX2MAPT
SCHEMBL444916 0.71 HDAC8 (1.00) HDAC8TAS1R3TAS1R2MEN1POLB

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-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed