SCHEMBL28301342

SCHEMBL28301342

O=[N+]([O-])c1cccc2cc(Br)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.60
ALDH1A1 P00352 3/20 0.46
PDE10A Q9Y233 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 5/20 0.42
CHRNA7 P36544 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL27921417 0.79 MAOA (0.60) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL28188822 0.79 MAOA (0.60) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL7828455 0.79 MAOA (0.60) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL7831602 0.79 MAOA (0.56) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL5306849 0.79 MAOA (0.76) MAOAALDH1A1TDP1KMT2AMEN1
SCHEMBL11540656 0.77 MAOA (0.57) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL2897463 0.76 GPR35 (0.68) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL2904975 0.76 MAOA (0.56) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL31634119 0.76 MAOA (0.56) MAOAALDH1A1PDE10ATDP1GPR35
SCHEMBL10565737 0.75 MAOA (0.55) MAOAALDH1A1PDE10ATDP1GPR35

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-109867645-A A kind of synthetic method of 2,2- bis- fluoro- 2,3- dihydro substitution benzofuran compounds 中国医学科学院药物研究所 2019-06-11 CN disclosed