SCHEMBL2408859

SCHEMBL2408859

Cc1noc(-c2ccccc2)c1NC(=O)NCCc1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 5/20 0.56
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC6 Q9UBN7 7/20 0.50
HDAC8 Q9BY41 6/20 0.50
LPAR1 Q92633 2/20 0.45
LPAR3 Q9UBY5 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL2413988 0.84 HDAC1 (0.56) HDAC1HDAC2MAPTHDAC6HDAC8
SCHEMBL2408856 0.78 LPAR1 (0.53) HDAC1HDAC2MAPTKDM4EHDAC6
SCHEMBL5995 0.77 LPAR1 (0.61) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL2407920 0.74 HDAC8 (0.82) HDAC1HDAC2HDAC6HDAC8NPC1
SCHEMBL13355167 0.74 MAPT (0.49) HDAC1HDAC2MAPTKDM4EHDAC6
SCHEMBL7061 0.73 MAPT (0.53) MAPTKDM4ELPAR1LPAR3SMN1; SMN2
SCHEMBL7036 0.73 LPAR1 (0.52) MAPTKDM4ELPAR1LPAR3MEN1
SCHEMBL4035675 0.73 MAPT (0.67) HDAC1HDAC2MAPTKDM4EHDAC6
SCHEMBL2410550 0.72 KMT2A (0.67) HDAC2MAPTHDAC6HDAC8SMN1; SMN2
SCHEMBL2414872 0.72 HDAC1 (0.62) HDAC1HDAC2HDAC6HDAC8NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed