SCHEMBL29950833

SCHEMBL29950833

CCN(CC(=O)NC)c1ccccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A3 P47895 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALDH3A1 P30838 1/20 0.35
PLK1 P53350 1/20 0.34
TSHR P16473 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL2559420 0.88 NPSR1 (0.36) OPRM1OPRL1MEN1KMT2ATDP1
SCHEMBL29951452 0.87 RAB9A (0.35) OPRM1OPRL1MEN1KMT2ATDP1
SCHEMBL2561856 0.84 OPRM1 (0.41) OPRM1OPRL1MEN1KMT2ATDP1
SCHEMBL29953981 0.84 MEN1 (0.43) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL465195 0.83 KMT2A (0.50) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL29354732 0.83 KMT2A (0.50) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL29950882 0.81 ALDH1A3 (0.39) MEN1KMT2AMAPTSMN1; SMN2ALDH1A3
SCHEMBL29958139 0.80 ALDH1A3 (0.41) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL24833805 0.80 LMNA (0.45) OPRM1OPRL1MEN1KMT2AMAPT
SCHEMBL29954704 0.77 KMT2A (0.42) MEN1KMT2ATDP1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed