Ethyne

Ethyne

SCHEMBL27085492

C#C.C#C.Nc1ccccc1C=CC(=O)c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ BCHE P06276 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MAOB P27338 4/20 0.55
▸ CYP1B1 Q16678 2/20 0.55
▸ PLIN1 O60240 1/20 0.55
▸ TNFRSF1A P19438 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ PLIN5 Q00G26 1/20 0.55
▸ ABHD5 Q8WTS1 1/20 0.55
▸ TYR P14679 1/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ NFKB2 Q00653 3/20 0.49
▸ RELA Q04206 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49

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
SCHEMBL29843588 0.96 MAPT (0.58) MAPTRAB9ANPC1BCHELMNA
SCHEMBL28383313 0.96 MAPT (0.58) MAPTRAB9ANPC1BCHELMNA
SCHEMBL7101080 0.96 MAPT (0.58) MAPTRAB9ANPC1BCHELMNA
SCHEMBL28383021 0.86 BCHE (0.71) MAPTRAB9ANPC1BCHELMNA
Methacrylic Acid SCHEMBL29881744 0.86 MAPT (0.52) MAPTRAB9ANPC1BCHELMNA
SCHEMBL31471647 0.85 MAPT (0.51) MAPTRAB9ANPC1BCHELMNA
SCHEMBL7922933 0.85 MAPT (0.54) MAPTRAB9ANPC1BCHELMNA
SCHEMBL7922930 0.85 MAPT (0.54) MAPTRAB9ANPC1BCHELMNA
SCHEMBL3498432 0.83 BCHE (0.63) MAPTRAB9ABCHELMNAMAOB
SCHEMBL1501197 0.83 CYP1B1 (0.61) MAPTRAB9ANPC1BCHELMNA

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-2024028876-A1 FUNCTIONALIZED DIACETYLENE MONOMERS, THEIR POLYMERIZATION AND USES THEREOF B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2024-02-08 — — WO disclosed
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