SCHEMBL31033248

SCHEMBL31033248

Nc1c(C(=O)O)c2nc3ccc(Cl)cc3oc-2cc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
IDO1 P14902 1/20 0.58
MAOB P27338 1/20 0.58
PIK3CG P48736 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRD1 P41143 2/20 0.40
NR1I2 O75469 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
CCKAR P32238 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR3A P46098 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL31033250 0.85 MAOA (0.58) MAOAIDO1MAOBMEN1KMT2A
SCHEMBL16431722 0.84 MAOA (0.68) MAOAIDO1MAOBMEN1KMT2A
SCHEMBL31011137 0.84 MAOA (0.68) MAOAIDO1MAOBMEN1KMT2A
SCHEMBL31033247 0.83 MAOA (0.43) MAOAIDO1MAOBPIK3CGMEN1
SCHEMBL31033258 0.81 PIK3CG (0.47) MAOAIDO1MAOBPIK3CGMEN1
SCHEMBL16432917 0.79 MAOA (0.59) MAOAIDO1MAOBMEN1KMT2A
SCHEMBL31033249 0.79 MAOA (0.59) MAOAIDO1MAOBMEN1KMT2A
Cinnabarinic Acid SCHEMBL29631673 0.73 MAOA (1.00) MAOAIDO1MAOBMEN1KMT2A
Cinnabarinic Acid SCHEMBL11888793 0.73 MAOA (1.00) MAOAIDO1MAOBMEN1KMT2A
SCHEMBL31033260 0.73 RAB9A (0.49) MAOAIDO1MAOBMEN1KMT2A

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