SCHEMBL9826491

SCHEMBL9826491

C#CCN1C(=O)NC(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AMY1A P0DUB6 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 1/20 0.32
MYC P01106 1/20 0.31
MAX P61244 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
SCHEMBL4748698 0.74 LMNA (0.48) KMT2AMAPTL3MBTL1
SCHEMBL9260455 0.72 MAPT (0.43) KMT2AMAPTL3MBTL1
SCHEMBL5147348 0.69 KMT2A (0.47) KMT2AMAPTL3MBTL1
SCHEMBL21387269 0.69 MAPT (0.41) KMT2AMAPTL3MBTL1
SCHEMBL8726551 0.68 MAPT (0.71) KMT2AMAPTL3MBTL1CYP19A1MYC
SCHEMBL8726371 0.68 KMT2A (0.54) KMT2AMAPTL3MBTL1CYP19A1
SCHEMBL24740948 0.65 AMY1A (0.39) AMY1AMAOAMAOBCYP19A1MYC
SCHEMBL13879443 0.64 KMT2A (0.53) KMT2AMAPT
SCHEMBL8898505 0.63 KMT2A (0.42) KMT2AMAPTL3MBTL1
SCHEMBL9787326 0.63 TSHR (0.60) KMT2AL3MBTL1

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
EP-0440670-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-08-14 EP disclosed