SCHEMBL28520353

SCHEMBL28520353

NN1CCCC1.O=[N+]([O-])c1cccc2ccoc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CHRNA7 P36544 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3276135 0.84 MAOA (0.54) MAOAMAPTSMN1; SMN2ALDH1A1CYP1A2
Aminocaproic Acid SCHEMBL29028429 0.69 MEN1 (0.41) MAOAMAPTALDH1A1MEN1KMT2A
SCHEMBL16828137 0.68 ALDH1A1 (0.45) MAOAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL358014 0.66 ALDH1A1 (0.61) MAPTSMN1; SMN2MITFHTTALDH1A1
SCHEMBL31290996 0.66 GPR35 (0.52) MAOAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL19606518 0.66 TYMS (0.47) MAOAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL13239012 0.64 HTR1A (0.53)
SCHEMBL30992343 0.64 HTR1A (0.53)
SCHEMBL28710049 0.64 LMNA (0.38) MAOAMAPTALDH1A1MEN1KMT2A
SCHEMBL6445623 0.64 ATM (0.43) MAOASMN1; SMN2ALDH1A1TDP1MAPK1

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-106456454-B Disintegrable core/shell silica particles for encapsulating and releasing biologically active macromolecules 斯特拉斯堡大学 2021-02-02 CN disclosed