Propyne

Propyne

SCHEMBL4555609

C#CC.CC#Cc1ncccn1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL29392 0.92
SCHEMBL15870986 0.74 HDAC8 (0.39) HDAC8
SCHEMBL1324980 0.69
SCHEMBL3706470 0.67 GRM5 (0.32)
SCHEMBL12422698 0.67 CCR1 (0.35)
SCHEMBL17035457 0.65 MAP3K14 (0.38)
SCHEMBL17507196 0.65
SCHEMBL28726262 0.65
SCHEMBL17039220 0.65 GRM5 (0.31)
SCHEMBL28527799 0.65 KDM4E (0.35)

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-2076612-A2 COMPOSITIONS FOR USE IN IDENTIFICATION OF BACTERIA Ibis Biosciences, Inc. (US) 2009-07-08 EP disclosed
WO-2008127839-A2 COMPOSITIONS FOR USE IN IDENTIFICATION OF BACTERIA IBIS BIOSCIENCES, INC. (US) 2008-10-23 WO disclosed