SCHEMBL5496465

SCHEMBL5496465

CC[n+]1ccccc1C#N.c1ccc(C([N-]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.35

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 0.84 HDAC8 (0.55) HDAC8KDM4E
SCHEMBL5495942 0.80 HDAC8 (0.68) HDAC8
SCHEMBL5490294 0.75 TSHR (0.38) HDAC8
SCHEMBL5490663 0.71 HDAC8 (0.41) HDAC8KDM4E
SCHEMBL28334355 0.71 HDAC8 (0.52) HDAC8KDM4E
Bromide SCHEMBL10609958 0.69 HDAC8 (0.50) HDAC8KDM4E
Hydrochloric Acid SCHEMBL10609333 0.69 HDAC8 (0.50) HDAC8KDM4E
SCHEMBL5487286 0.69 HDAC8 (0.60) HDAC8
SCHEMBL5485690 0.69 HDAC8 (0.39) HDAC8KDM4E
SCHEMBL5490674 0.69 RAD52 (0.38) HDAC8KDM4E

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