SCHEMBL19254542

SCHEMBL19254542

CC(C)(C)c1cccc(C(=O)NS(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 3/20 0.57
LMNA P02545 1/20 0.54
ACHE P22303 3/20 0.53
NR1H4 Q96RI1 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC11 Q96DB2 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
SCN2B O60939 1/20 0.46
SCN1A P35498 1/20 0.46
SCN1B Q07699 1/20 0.46
SCN5A Q14524 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30744927 0.86 NPSR1 (0.61) LMNAMEN1KMT2ASCN9AMRGPRX4
SCHEMBL22503070 0.83 ACHE (0.56) HDAC8HDAC6LMNAACHENR1H4
SCHEMBL12201883 0.83 HDAC8 (0.77) HDAC8HDAC6ACHENR1H4HDAC3
SCHEMBL7990830 0.81 HDAC1 (0.66) HDAC8HDAC6LMNANR1H4HDAC3
SCHEMBL10120025 0.80 HDAC8 (0.59) HDAC8HDAC6ACHENR1H4HDAC3
SCHEMBL12949253 0.79 LMNA (0.59) HDAC8HDAC6LMNAACHENR1H4
SCHEMBL13698098 0.78 ACHE (0.60) HDAC8HDAC6ACHENR1H4HDAC3
SCHEMBL10197595 0.78 HDAC8 (0.57) HDAC8HDAC6LMNAACHENR1H4
SCHEMBL280256 0.78 HDAC8 (0.68) HDAC8HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL13331743 0.78 KDM4E (0.65) HDAC8HDAC6MEN1KMT2ASCN9A

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-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed