SCHEMBL8201487

SCHEMBL8201487

C=S(C)(=O)c1ccc(CC(=O)Nc2cccc(C(=O)NC3CCN(C(=O)OCC)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 8/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
NOS2 P35228 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR8 P51685 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12853603 0.93 MEN1 (0.55) MEN1KMT2AMAPTTSHRKDM4E
SCHEMBL8208606 0.85 MAPT (0.53) MEN1KMT2AMAPTTSHRKDM4E
SCHEMBL17012010 0.82 KDM4E (0.58) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL8208766 0.81 KMT2A (0.50) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL8208762 0.81 KDM4E (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL8201484 0.81 KDM4E (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL12853206 0.78 MAPT (0.54) MEN1KMT2AMAPTTSHRKDM4E
SCHEMBL12853598 0.74 NOS2 (0.67) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL12855299 0.74 KDM4E (0.60) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL8212461 0.74 KDM4E (0.60) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed