SCHEMBL28995449

SCHEMBL28995449

Cn1nc(N(C#N)CCCCC(=O)O)c2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
KMO O15229 2/20 0.37
LSS P48449 2/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
PDGFRA P16234 1/20 0.34
CDK5 Q00535 1/20 0.34
TYRO3 Q06418 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 4/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TBXAS1 P24557 3/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL28995466 0.82 EGLN1 (0.39) EGLN1KMOLSSFABP4FABP5
SCHEMBL29946884 0.81 LMNA (0.36) PDGFRACDK5TYRO3HSD17B10MEN1
SCHEMBL23538386 0.81 LMNA (0.36) PDGFRACDK5TYRO3HSD17B10MEN1
SCHEMBL31330992 0.76 EGLN1 (0.41) EGLN1KMOLSSPDGFRACDK5
SCHEMBL28995524 0.72 RXFP1 (0.54) EGLN1KMOPDGFRACDK5TYRO3
SCHEMBL31323548 0.70 EGLN1 (0.42) EGLN1KMOLSSPDGFRACDK5
SCHEMBL22119625 0.68 APEX1 (0.46) EGLN1KMOPDGFRACDK5TYRO3
SCHEMBL29976679 0.68 APEX1 (0.46) EGLN1KMOPDGFRACDK5TYRO3
SCHEMBL15332426 0.68 PDGFRA (0.39) LSSPDGFRACDK5TYRO3MEN1
SCHEMBL23551752 0.67 PDGFRA (0.34) EGLN1KMOLSSPDGFRACDK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440813-A EGFR degrading agents for treating brain or CNS cancer metastasis C4医药公司 2024-01-23 CN disclosed
CN-115996719-A BRAF degradation agent C4医药公司 2023-04-21 CN disclosed
CN-114901277-A Isoindolinone and indazole compounds for EGFR degradation C4医药公司 2022-08-12 CN disclosed