SCHEMBL14918557

SCHEMBL14918557

COc1cc(-c2noc(C(F)(F)F)n2)ccc1CNC(=O)OCc1ccc(-c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.49
HDAC1 Q13547 7/20 0.49
HDAC5 Q9UQL6 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HPGDS O60760 1/20 0.47
HDAC4 P56524 7/20 0.45
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14918120 0.93 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918073 0.91 HPGDS (0.49) HDAC6HDAC1HDAC5HDAC8HPGDS
SCHEMBL14918802 0.90 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC8HPGDS
SCHEMBL14918118 0.90 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918617 0.90 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917985 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918282 0.88 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918381 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918681 0.88 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917872 0.87 HDAC6 (0.48) HDAC6HDAC1HDAC5HDAC8HDAC4

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-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed