SCHEMBL30857809

SCHEMBL30857809

O=C(O)C1=Cc2ccccc2NC(C(=O)O)=C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 2/20 0.30

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
SCHEMBL4044958 0.76 MAPT (0.42) MAOAMAOBMAPTGAALMNA
SCHEMBL27989619 0.73 MAOA (0.42) MAOAMAOBMAPTGAALMNA
SCHEMBL29056057 0.72 MAOA (0.38) MAOAMAOBMAPTGAALMNA
SCHEMBL7355306 0.66 MAPT (0.38) MAOAMAOBMAPTGAARAB9A
SCHEMBL16627810 0.64 MAPT (0.36) MAOAMAOBMAPTGAARAB9A
SCHEMBL8513190 0.64 MAPT (0.41) MAOAMAOBMAPTGAALMNA
SCHEMBL503745 0.64 MAOA (0.50) MAOAMAOBLMNA
SCHEMBL30895284 0.64 MAOA (0.50) MAOAMAOBLMNA
Hydrochloric Acid SCHEMBL26614007 0.62 MAOA (0.48) MAOAMAOBLMNA
SCHEMBL6226043 0.62 ALDH1A1 (0.34) MAOAMAOBMAPTGAASMN1; 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-115611901-B Azepine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 华南理工大学 2024-04-30 CN disclosed