SCHEMBL14932809

SCHEMBL14932809

CC(C)(C)OC(=O)NCC1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.56
HDAC6 Q9UBN7 15/20 0.56
HDAC8 Q9BY41 11/20 0.56
CKS1B P61024 1/20 0.55
SKP1 P63208 1/20 0.55
SKP2 Q13309 1/20 0.55
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC5 Q9UQL6 3/20 0.48

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
SCHEMBL14932799 0.89 HDAC4 (0.54) HDAC4HDAC6HDAC8CKS1BSKP1
SCHEMBL14918562 0.88 HDAC4 (0.59) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL14932796 0.87 HDAC4 (0.60) HDAC4HDAC6HDAC8CKS1BSKP1
SCHEMBL14932822 0.80 HDAC4 (0.70) HDAC4HDAC6HDAC8CKS1BSKP1
SCHEMBL14917981 0.79 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC5
SCHEMBL31675214 0.78 HDAC6 (0.61) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL29878598 0.78 HDAC6 (0.61) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL31045458 0.78 CKS1B (0.48) CKS1BSKP1SKP2FGFR3KDR
SCHEMBL14918519 0.77 HDAC6 (0.58) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL14932813 0.77 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC1HDAC5

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-2013066831-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed