SCHEMBL9751653

SCHEMBL9751653

CN(C)c1cccc2c(S(=O)(=O)NCC(=O)NCC(=O)O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
EDNRA P25101 5/20 0.52
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
GBA1 P04062 3/20 0.51
EPHX2 P34913 1/20 0.51
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Dansylglycine SCHEMBL31496395 0.91 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5EDNRA
Dansylglycine SCHEMBL386439 0.91 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL17268847 0.86 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL18972443 0.86 HDAC4 (0.58) HDAC4HDAC10HDAC6HDAC5EDNRA
Dansylglycine SCHEMBL28460517 0.84 HDAC4 (0.54) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL17268647 0.83 HDAC4 (0.63) HDAC4HDAC10HDAC6HDAC5EDNRA
Dansylglycine SCHEMBL4273131 0.82 HDAC4 (0.52) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL10677948 0.82 F2 (0.62) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL23454427 0.81 HDAC4 (0.67) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL18131884 0.80 EPHX2 (0.64) HDAC4HDAC10HDAC6HDAC5EDNRA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066785-A CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING CITY OF HOPE (US) 1991-11-19 US disclosed
EP-0407527-A4 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING 1991-10-30 EP disclosed
EP-0407527-A1 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING CITY OF HOPE (US) 1991-01-16 EP disclosed
US-4935494-A C-terminal peptide and protein sequencing CITY OF HOPE (US) 1990-06-19 US disclosed
WO-1990005739-A1 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING MILLER CHAD G (US) 1990-05-31 WO disclosed