SCHEMBL2407908

SCHEMBL2407908

CC(C)(CNC(=O)c1ccccc1C(F)(F)F)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HDAC6 Q9UBN7 11/20 0.47
HDAC1 Q13547 9/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
EPHX2 P34913 2/20 0.41
PPARG P37231 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
SCHEMBL2408848 0.79 TSHR (0.67) LMNAGAAHDAC6HDAC1HDAC8
SCHEMBL2415976 0.76 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL2410827 0.74 HDAC1 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL30791183 0.73 LMNA (0.69) LMNAGAAHDAC6HDAC1HDAC8
SCHEMBL29454504 0.73 LMNA (0.59) LMNAGAAHDAC6HDAC8HDAC3
SCHEMBL2407744 0.72 HDAC1 (0.58) GAAHDAC6HDAC1HDAC8HDAC3
SCHEMBL2407905 0.71 LMNA (0.57) LMNAGAAHDAC6HDAC1HDAC8
SCHEMBL5720709 0.71 LMNA (0.64) LMNAGAAHDAC6HDAC1HDAC3
SCHEMBL2410188 0.71 HDAC6 (0.44) LMNAHDAC6HDAC1HDAC8HDAC3
SCHEMBL3455177 0.70 LMNA (0.54) LMNAGAAHDAC6HDAC1HDAC3

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