Ethyne

Ethyne

SCHEMBL6237008

C#C.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.93
NPC1 O15118 9/20 0.93
MAPT P10636 8/20 0.93
SMN1; SMN2 Q16637 7/20 0.93
KMT2A Q03164 6/20 0.93
TP53 P04637 5/20 0.93
MEN1 O00255 5/20 0.93
ALDH1A1 P00352 4/20 0.93
CYP3A4 P08684 3/20 0.93
MAPK1 P28482 2/20 0.93
HIF1A Q16665 1/20 0.93
ESR1 P03372 1/20 0.65
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
PTK2B Q14289 1/20 0.41
CYP1A2 P05177 2/20 0.41
NCF1 P14598 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL42716 0.96 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL21817022 0.96 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL29350835 0.96 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Cyanide SCHEMBL8518292 0.95 RAB9A (0.90) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL7791036 0.95 RAB9A (0.96) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Methane SCHEMBL725576 0.95 RAB9A (0.96) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL9513625 0.95 RAB9A (0.96) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Bicarbonate SCHEMBL7756326 0.90 RAB9A (0.87) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Phthalimide SCHEMBL5678400 0.87 MAPT (0.82) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL29120606 0.87 ALDH1A1 (0.81) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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-2005003276-A1 LAUNDRY TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2005-01-13 WO disclosed