SCHEMBL6560738

SCHEMBL6560738

CNC(=O)C#CCc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HTT P42858 1/20 0.47
F2RL1 P55085 1/20 0.46
PLK1 P53350 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LDHA P00338 1/20 0.44
ACACB O00763 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL6561789 0.78 NPC1 (0.60) PLK1POLBSMN1; SMN2ACACBMEN1
SCHEMBL28304802 0.76 IDO1 (0.56) SMN1; SMN2
SCHEMBL7617948 0.73 IDO1 (0.48) HTTF2RL1SMN1; SMN2LDHA
SCHEMBL16376846 0.72 ALDH1A1 (0.53) POLBSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13259194 0.72 IDO1 (0.47) HTTSMN1; SMN2LDHAMEN1KMT2A
SCHEMBL14873896 0.71 ALDH1A1 (0.51) POLBSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3369060 0.70 HTT (0.76) SAE1UBA2HTTTDP1SMN1; SMN2
SCHEMBL23485126 0.70 IDO1 (0.50) TDP1SMN1; SMN2
SCHEMBL13285020 0.70 IDO1 (0.48) SMN1; SMN2
SCHEMBL10958510 0.70 IDO1 (0.54) SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6069247-A REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5917038-A REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed