Ethyne

Ethyne

SCHEMBL28448752

C#C.N#CC1=Cc2ccccc21

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
ESR2 Q92731 1/20 0.31
PIM1 P11309 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
AR P10275 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
SCHEMBL3946811 0.95 GPR84 (0.62) GPR84TSHRCA1CA2USP8
Ammonia Solution, Strong SCHEMBL3949938 0.85 GPR84 (0.53) GPR84TSHRCA1CA2
SCHEMBL29624824 0.78 GPR84 (0.50) GPR84USP8USP7PIM1CDC25A
SCHEMBL2781483 0.78 GPR84 (0.50) GPR84USP8USP7PIM1CDC25A
SCHEMBL15122251 0.77 GPR84 (0.49) GPR84TSHRCA1CA2
SCHEMBL11486708 0.74 GPR84 (0.50) GPR84
SCHEMBL5677258 0.74 GPR84 (0.50) GPR84
SCHEMBL6371108 0.74 GPR84 (0.50) GPR84CA1CA2
SCHEMBL4922451 0.72 MAPK1 (0.52) GPR84TSHRUSP8USP7
SCHEMBL9347855 0.71 GPR84 (0.38) GPR84CDC25ACDC25B

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
CN-108083963-B Synthetic method of diarylethene 中国工程物理研究院激光聚变研究中心 2020-08-28 CN disclosed