SCHEMBL24879570

SCHEMBL24879570

CN(C)c1ccn(N(C)C)c(=O)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.40
NCF1 P14598 1/20 0.38
CRHR1 P34998 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAT2A P31153 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL15360079 0.78 SMPD3 (0.44) SMPD3NCF1CRHR1ADORA2AADORA1
SCHEMBL24896141 0.76 SMPD3 (0.42) SMPD3NCF1CRHR1MEN1KMT2A
SCHEMBL1687064 0.76 SLC6A2 (0.31) MEN1KMT2A
SCHEMBL22996100 0.73 MEN1 (0.43) NCF1MEN1KMT2A
SCHEMBL22133199 0.73 SMPD3 (0.38) SMPD3NCF1ADORA2AADORA1
SCHEMBL22605364 0.73 SMPD3 (0.38) SMPD3NCF1CRHR1
SCHEMBL1686823 0.65 KDM4E (0.43) MEN1KMT2A
SCHEMBL11926725 0.65 LMNA (0.40) MEN1KMT2A
SCHEMBL26948614 0.63 BRD9 (0.35) SMPD3MAT2A
SCHEMBL25946592 0.63 LMNA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283434-A9 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2024-03-28 WO disclosed
WO-2023069495-A1 OLIGONUCLEOTIDES WITH 2'-DEOXY-2'-F-2'-C-METHYL NUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-04-27 WO disclosed
WO-2023283434-A1 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-12 WO disclosed