SCHEMBL31033255

SCHEMBL31033255

Nc1c(C(=O)OCc2ccccc2)c2nc3c(C(=O)OCc4ccccc4)cccc3oc-2cc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.64
IDO1 P14902 1/20 0.64
MAOA P21397 1/20 0.64
AKR1B1 P15121 1/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
FBP1 P09467 2/20 0.39
KDM5A P29375 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL31091516 0.89 MAOB (0.54) MAOBIDO1MAOAAKR1B1POLB
SCHEMBL31011133 0.81 IDO1 (0.69) MAOBIDO1MAOAKMT2AMEN1
SCHEMBL31033253 0.80 MAOA (0.66) MAOBIDO1MAOAPOLBKMT2A
Cinnabarinic Acid SCHEMBL29631673 0.79 MAOA (1.00) MAOBIDO1MAOAPOLBKMT2A
SCHEMBL14680386 0.76 MAOA (0.85) MAOBIDO1MAOAPOLBKMT2A
SCHEMBL31014195 0.76 MAOB (0.45) MAOBIDO1MAOAALDH1A1BCHE
SCHEMBL31091523 0.75 IDO1 (0.54) MAOBIDO1MAOAKMT2AMEN1
SCHEMBL19914213 0.74 ALDH1A1 (0.51) MAOBPOLBKMT2AMEN1ALDH1A1
SCHEMBL31091514 0.74 MAOB (0.53) MAOBIDO1MAOAALDH1A1TDP1
SCHEMBL31091511 0.74 MAOB (0.53) MAOBIDO1MAOAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420557-B Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-11 CN disclosed
CN-118420557-A Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 CN disclosed