SCHEMBL28299306

SCHEMBL28299306

Ic1ccc(-c2cccc3c2Cc2ccccc2O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPKAPK2 P49137 1/20 0.37
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRCP P42785 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
ANPEP P15144 2/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
PNMT P11086 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL149766 0.87 MAOA (0.55) MAOAMAOBMAPKAPK2PRCPANPEP
SCHEMBL30859067 0.87 MAOA (0.55) MAOAMAOBMAPKAPK2PRCPANPEP
Hydrochloric Acid SCHEMBL28967142 0.85 MAOA (0.53) MAOAMAOBMAPKAPK2PRCPANPEP
SCHEMBL28252708 0.84 MAOB (0.48) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL27773304 0.84 MAOB (0.48) MAOAMAOBMAPKAPK2NR1H2NR1H3
SCHEMBL28301059 0.84 MAOA (0.44) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL15391341 0.81 MAOA (0.48) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL28493411 0.81 MAOA (0.44) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL11572806 0.81 MAOB (0.44) MAOAMAOBMAPKAPK2KDM4ENPC1
SCHEMBL20526412 0.80 MAOA (0.47) MAOAMAOBMAPKAPK2GAANPSR1

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-109824889-A The Nomex of structure containing xanthene and its method are prepared based on diiodo- xanthene compound 江西师范大学 2019-05-31 CN claimed
CN-109824889-A The Nomex of structure containing xanthene and its method are prepared based on diiodo- xanthene compound 江西师范大学 2019-05-31 CN disclosed