SCHEMBL5487281

SCHEMBL5487281

CCOS(=O)(=O)[O-].CC[n+]1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
TRPV4 Q9HBA0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMD14 O00487 1/20 0.32
CYP2A6 P11509 1/20 0.31
PGR P06401 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL5483736 0.84 HDAC8 (0.38) HDAC8MAPTKMT2ATRPV4KDM4E
SCHEMBL28333922 0.83 HDAC8 (0.57) HDAC8MAPTKMT2AKDM4EALDH1A1
Bromide SCHEMBL10610087 0.82 HDAC8 (0.55) HDAC8MAPTKMT2AKDM4EALDH1A1
SCHEMBL193915 0.80 LMNA (0.40) KMT2AKDM4EALDH1A1LMNARAB9A
SCHEMBL29459670 0.80 LMNA (0.40) KMT2AKDM4EALDH1A1LMNARAB9A
SCHEMBL29388369 0.76 GGPS1 (0.34) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL193561 0.76 GGPS1 (0.34) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5085627 0.75 KMT2A (0.33) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5485690 0.72 HDAC8 (0.39) HDAC8MAPTKMT2AKDM4EMEN1
SCHEMBL17845868 0.71 HTT (0.38) MAPTKMT2AKDM4EMEN1ALDH1A1

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