SCHEMBL28795367

SCHEMBL28795367

COc1cc(N2CCN(CC3CCNCC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
ACHE P22303 2/20 0.41
HTR4 Q13639 1/20 0.41
POLB P06746 1/20 0.41
HTR6 P50406 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29803100 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL28795370 0.93 ACHE (0.41) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL29803047 0.93 ACHE (0.41) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL29803399 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL28795243 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL29803041 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL28795175 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL28795325 0.92 POLB (0.42) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL30502241 0.92 POLB (0.42) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL29803323 0.91 DRD2 (0.39) ALDH1A1SMN1; SMN2HTTGAAKMT2A

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