SCHEMBL29772115

SCHEMBL29772115

O=[N+]([O-])c1ccc(N2CCCCC2COC2CNC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL12006635 0.78 MAPT (0.46) MAPTSIRT6PPARGALDH1A1LMNA
SCHEMBL12006634 0.78 MAPT (0.46) MAPTSIRT6PPARGALDH1A1LMNA
SCHEMBL791700 0.78 MAPT (0.46) MAPTSIRT6PPARGALDH1A1LMNA
SCHEMBL6714741 0.77 ALDH1A1 (0.53) MAPTSIRT6ALDH1A1LMNAPOLB
SCHEMBL3136982 0.77 CUL4A (0.51) MAPTADRB1SIRT6ALDH1A1LMNA
SCHEMBL28185991 0.76 MAPT (0.47) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3244415 0.74 MAPT (0.44) MAPTPPARGALDH1A1LMNAPOLB
SCHEMBL2886399 0.74 MAPT (0.49) MAPTALDH1A1LMNASIGMAR1HRH3
SCHEMBL12006068 0.74 MAPT (0.49) MAPTALDH1A1LMNASIGMAR1HRH3
SCHEMBL3125630 0.74 FFAR1 (0.46) MAPTPPARGALDH1A1POLBSMN1; SMN2

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-114853846-A Androgen receptor degradation agent and application thereof 苏州国匡医药科技有限公司 2022-08-05 CN disclosed