SCHEMBL29951452

SCHEMBL29951452

CCNC(=O)CN(CC)c1ccccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A3 P47895 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
ALDH3A1 P30838 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PLK1 P53350 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL29950833 0.87 OPRM1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL29957679 0.87 NOTUM (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL29953981 0.83 MEN1 (0.43) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL465195 0.82 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL29354732 0.82 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL29955288 0.82 ALDH1A3 (0.38) ALDH1A1MEN1KMT2AMAPTALDH1A3
SCHEMBL29951806 0.78 KMT2A (0.41) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
Biphenyl SCHEMBL61055 0.76 MEN1 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL2553177 0.75 TSHR (0.43) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL2559420 0.75 NPSR1 (0.36) ALDH1A1MEN1KMT2ATDP1ALDH1A3

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