SCHEMBL22904136

SCHEMBL22904136

CC(=O)Nc1cccc2c1C(=O)NC(=O)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CASP3 P42574 2/20 0.54
TDP2 O95551 5/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAOA P21397 1/20 0.47
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
AHR P35869 1/20 0.42
CCNE2 O96020 3/20 0.41
CCNE1 P24864 3/20 0.41

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
SCHEMBL3659895 0.82 AHR (0.50) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL22904498 0.82 CASP3 (0.56) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL22904503 0.81 TDP2 (0.58) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL24632112 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL22904358 0.78 TDP2 (0.54) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL22904353 0.77 TDP2 (0.53) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL7960619 0.75 KDM4E (1.00) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL22904526 0.75 TDP2 (0.54) ALDH1A1HPGDKDM4EGAACASP3
SCHEMBL1273609 0.74 NPC1 (0.68) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL30002207 0.74 NPC1 (0.68) ALDH1A1HPGDKDM4EGAAHSD17B10

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