Propyne

Propyne

SCHEMBL29032103

C#CC.F.NC(=O)C(N)=O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
ALOX15 P16050 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LDHA P00338 2/20 0.35
LDHB P07195 1/20 0.35
ALDH1A1 P00352 1/20 0.33
OR51E2 Q9H255 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.31

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
Oxamate SCHEMBL30634939 0.87 LDHA (0.56) LMNABLMALOX15PMP22TDP1
Urea SCHEMBL11032653 0.85
Fluoride SCHEMBL28593990 0.76
Fluoride SCHEMBL11346252 0.76
Bicarbonate SCHEMBL165021 0.72
Fluoride SCHEMBL28560529 0.71
Methyl Alcohol SCHEMBL27702041 0.71
SCHEMBL52275 0.71
Propyne SCHEMBL29125662 0.71
SCHEMBL4475934 0.71 LMNA (0.62) LMNABLMALOX15PMP22TDP1

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-218901824-U Efficient mixing equipment for producing flumioxazin 内蒙古世杰化工有限公司 2023-04-25 CN disclosed