SCHEMBL14645022

SCHEMBL14645022

CN(C)c1cccc2c(S(=O)(=O)NCCCN=N)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.61
▸ HDAC10 Q969S8 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ HDAC5 Q9UQL6 1/20 0.61
▸ GBA1 P04062 3/20 0.54
▸ GLB1 P16278 3/20 0.54
▸ EDNRA P25101 1/20 0.53
▸ F2 P00734 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ FUCA1 P04066 1/20 0.52
▸ HTR1A P08908 3/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THPO P40225 1/20 0.50

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
SCHEMBL4139459 0.88 HDAC4 (0.75) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4126957 0.88 HDAC4 (0.71) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4142506 0.87 HDAC4 (0.77) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL13598768 0.85 HDAC4 (0.59) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL10002024 0.84 HDAC4 (0.67) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL23964395 0.83 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL12502117 0.83 HDAC4 (0.65) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL4782146 0.83 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL29376225 0.83 HDAC4 (0.69) HDAC4HDAC10HDAC6HDAC5GBA1
SCHEMBL8488157 0.83 HDAC4 (0.65) HDAC4HDAC10HDAC6HDAC5GBA1

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-8357532-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2013-01-22 — — US disclosed
Send feedback