SCHEMBL31472619

SCHEMBL31472619

Cc1ccc(C(=O)N[C@H]2CC3C=CC2C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.52
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EPHX2 P34913 5/20 0.47
▸ SSTR3 P32745 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RECQL P46063 1/20 0.42

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
SCHEMBL31472623 0.86 GAA (0.53) GAANPC1RAB9AEPHX2SSTR3
SCHEMBL31472635 0.85 GAA (0.52) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472633 0.85 GAA (0.52) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472622 0.84 GAA (0.54) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472630 0.84 GAA (0.54) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472627 0.84 EPHX2 (0.50) GAANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31472626 0.84 GLA (0.47) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472628 0.84 EPHX2 (0.50) GAANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31472629 0.83 NPC1 (0.53) GAANPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL22617482 0.82 GAA (0.53) GAAEPHX2ALDH1A1TDP1

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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