SCHEMBL30627201

SCHEMBL30627201

CC(C)(C)OC(=O)N1CCNCC1c1ccc(I)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 5/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL7374803 0.87 PARP1 (0.40) PARP1ALDH1A1TSHRLMNAMEN1
SCHEMBL8147630 0.83 MAPT (0.43) PARP1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL27868891 0.82 GPR119 (0.45) PARP1ALDH1A1TSHRLMNAMEN1
SCHEMBL29773951 0.82 GPR119 (0.45) PARP1ALDH1A1TSHRLMNAMEN1
SCHEMBL28112473 0.81 GPR119 (0.46) PARP1
SCHEMBL31105123 0.81 PARP1 (0.40) PARP1ALDH1A1TSHRLMNAMEN1
SCHEMBL31388549 0.80 PARP1 (0.42) PARP1ALDH1A1TSHRLMNAMEN1
SCHEMBL20312846 0.80 GSK3B (0.37) PARP1MEN1KMT2A
SCHEMBL29757596 0.80 GPR119 (0.45) PARP1
SCHEMBL28412863 0.80 GPR119 (0.45) PARP1

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
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed