SCHEMBL5485690

SCHEMBL5485690

CCOS(=O)(=O)[O-].CC[n+]1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
PSMD14 O00487 1/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
BRCA1 P38398 1/20 0.32
HBB P68871 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28879318 0.82 HDAC8 (0.55) HDAC8MEN1MAPTKMT2AKDM4E
SCHEMBL17845872 0.80 SMN1; SMN2 (0.41) MEN1MAPTKMT2AKDM4EPSMD14
SCHEMBL5483736 0.72 HDAC8 (0.38) HDAC8MEN1MAPTKMT2AKDM4E
SCHEMBL5487281 0.72 HDAC8 (0.41) HDAC8MEN1MAPTKMT2AKDM4E
SCHEMBL5486047 0.69 HDAC8 (0.68) HDAC8KDM4EPSMD14LMNAALDH1A1
SCHEMBL28334355 0.69 HDAC8 (0.52) HDAC8MEN1KMT2AKDM4ELMNA
SCHEMBL5085627 0.69 KMT2A (0.33) MEN1MAPTKMT2AKDM4EPSMD14
SCHEMBL5496465 0.69 HDAC8 (0.41) HDAC8KDM4E
SCHEMBL10609241 0.69 NPC1 (0.41) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL5272717 0.68 KDM4E (0.39) MEN1MAPTKMT2AKDM4EPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854786-A1 Ionic liquids and their use in extraction processes BP p.l.c. (GB) 2007-11-14 EP claimed
EP-1854786-A1 Ionic liquids and their use in extraction processes BP p.l.c. (GB) 2007-11-14 EP disclosed