SCHEMBL22904112

SCHEMBL22904112

O=C1NCc2cc(Oc3ccccc3)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
MAOB P27338 6/20 0.59
GRM5 P41594 1/20 0.47
TGM2 P21980 2/20 0.46
GSTP1 P09211 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TYRO3 Q06418 1/20 0.43
NTRK2 Q16620 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ATM Q13315 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
AADAT Q8N5Z0 1/20 0.40

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
SCHEMBL7591080 0.78 MAOA (0.54) MAOAMAOBGSTP1MAPTTDP1
SCHEMBL620053 0.78 ALDH1A1 (0.44) MAOAMAOBGRM5TGM2MAPT
SCHEMBL6014812 0.78 CLK4 (0.48) MAOAMAOBGRM5TGM2TDP1
SCHEMBL22169857 0.77 AKR1C3 (0.55) MAOAMAOBGRM5
SCHEMBL5894020 0.74 MAOA (1.00) MAOAMAOBTGM2GSTP1MAPT
SCHEMBL618389 0.74 ALDH1A1 (0.47) MAPTTDP1L3MBTL1
SCHEMBL1745079 0.72 GRM5 (0.53) MAOAMAOBGRM5GSTP1MAPT
SCHEMBL8896838 0.72 MAOB (0.50) MAOAMAOBGSTP1MAPTCA9
SCHEMBL8896688 0.72 MAOB (0.65) MAOAMAOBGSTP1MAPTTDP1
SCHEMBL22169855 0.72 L3MBTL1 (0.45) L3MBTL1HPGD

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
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed