SCHEMBL8087332

SCHEMBL8087332

CN(C)c1cccc2c(S(=O)(=O)NC/C(=C/C(=O)O)C(=O)O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 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
EDNRA P25101 5/20 0.50
GBA1 P04062 4/20 0.49
EPHX2 P34913 1/20 0.47
GLB1 P16278 1/20 0.47
HDAC1 Q13547 1/20 0.47
CA2 P00918 1/20 0.46
PTGS2 P35354 1/20 0.46

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 0.84 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5F2
Dansylglycine SCHEMBL386439 0.84 HDAC4 (0.60) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL17268647 0.81 HDAC4 (0.63) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL10677948 0.80 F2 (0.62) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL8087336 0.80 NSD2 (0.49)
SCHEMBL17268847 0.79 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL9751653 0.79 HDAC4 (0.57) HDAC4HDAC10HDAC6HDAC5F2
Dansylglycine SCHEMBL28460517 0.78 HDAC4 (0.54) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL23454427 0.77 HDAC4 (0.67) HDAC4HDAC10HDAC6HDAC5F2
SCHEMBL15586444 0.76 HDAC4 (0.55) HDAC4HDAC10HDAC6HDAC5F2

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
JP-2000143653-A FLUORESCENCE EMITTING DICARBOXYLIC ACID ANHYDRIDE, ITS PRECURSOR, FLUORESCENCE EMITTING LABELING REAGENT CONTAINING THE SAME ACID ANHYDRIDE AND REVERSIBLE FLUORESCENCE ANALYSIS WITH THE SAME ACID ANHYDRIDE JAPAN SCIENCE & TECHNOLOGY CORP 2000-05-26 JP disclosed