SCHEMBL31033247

SCHEMBL31033247

CC(C)(C)OC(=O)c1c2nc3ccc(Cl)cc3oc-2cc(=O)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
IDO1 P14902 1/20 0.43
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL31033252 0.88 MAOA (0.44) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31011136 0.86 MAOA (0.51) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31033248 0.83 MAOA (0.58) MAOAMAOBIDO1PIK3CGKDM4E
SCHEMBL31033254 0.82 MAOA (0.44) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31033253 0.78 MAOA (0.66) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31033260 0.76 RAB9A (0.49) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31091517 0.76 MAOA (0.54) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31033258 0.74 PIK3CG (0.47) MAOAMAOBIDO1PIK3CGKDM4E
SCHEMBL31011135 0.73 MAOA (0.51) MAOAMAOBIDO1KDM4EALDH1A1
SCHEMBL31033250 0.72 MAOA (0.58) MAOAMAOBIDO1KDM4EALDH1A1

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