SCHEMBL31472622

SCHEMBL31472622

O=C(N[C@H]1CC2C=CC1C2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.54
▸ EPHX2 P34913 6/20 0.49
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31472630 1.00 GAA (0.54) GAAEPHX2TDP1ALDH1A1NFKB1
SCHEMBL31472623 0.86 GAA (0.53) GAAEPHX2TDP1ALDH1A1KDM4E
SCHEMBL31472619 0.84 GAA (0.52) GAAEPHX2TDP1ALDH1A1LMNA
SCHEMBL31472633 0.84 GAA (0.52) GAAEPHX2TDP1ALDH1A1LMNA
SCHEMBL31472635 0.84 GAA (0.52) GAAEPHX2TDP1ALDH1A1LMNA
SCHEMBL31472629 0.83 NPC1 (0.53) GAALMNAKMT2AMEN1KDM4E
SCHEMBL31472618 0.83 GRM5 (0.56) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL22617484 0.82 GAA (0.53) GAAEPHX2TDP1ALDH1A1
SCHEMBL22617482 0.82 GAA (0.53) GAAEPHX2TDP1ALDH1A1
SCHEMBL31472627 0.81 EPHX2 (0.50) GAAEPHX2ALDH1A1NPC1RAB9A

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-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 — — CN disclosed
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