Ethyne

Ethyne

SCHEMBL9752605

C#C.CC(C)(C)OC(=O)N1CCCC1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
USP2 O75604 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
EPHX1 P07099 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PREP P48147 2/20 0.49
RECQL P46063 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 1/20 0.45
CTSK P43235 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL5053 0.96 HPGD (0.68) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL7858182 0.96 HPGD (0.68) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL2077166 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL21707988 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL29724140 0.93 HPGD (0.66) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL18097955 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL19852529 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL60470 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL18432213 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL19864899 0.93 HPGD (0.71) HPGDUSP2SMN1; SMN2EPHX1MEN1

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-1991000724-A1 ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed