SCHEMBL28795201

SCHEMBL28795201

COc1cc(N2CCC(N3CCN(C4CNC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL28795309 0.99 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL28795166 0.91 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL29803033 0.91 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL310861 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL28795481 0.90 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL517392 0.89 SIRT6 (0.49) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL10207319 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL23759668 0.89 SIRT6 (0.47) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL28795421 0.88 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL29803053 0.88 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1TDP1LMNA

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-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN disclosed