SCHEMBL14679306

SCHEMBL14679306

Cc1cccc(C(=O)NC(=O)C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
KCNK3 O14649 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KCNK9 Q9NPC2 2/20 0.56
KCNH2 Q12809 1/20 0.56
CYP2C19 P33261 1/20 0.55
ABCB1 P08183 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
STAT1 P42224 1/20 0.51

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
SCHEMBL5533967 0.84 HDAC8 (0.54) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL27668893 0.82 SMN1; SMN2 (0.70) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL28744940 0.82 HDAC8 (0.69) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL21653856 0.80 SMN1; SMN2 (0.79) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL2382460 0.80 HDAC8 (0.57) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL10265496 0.80 LMNA (0.59) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL31540297 0.80 HDAC8 (0.71) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL82080 0.80 HDAC8 (0.71) HDAC8HDAC6SMN1; SMN2KCNK3MEN1
SCHEMBL14679338 0.79 POLB (0.54) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL15328144 0.79 HDAC8 (0.65) HDAC8HDAC6SMN1; SMN2KCNK3MEN1

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
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed