SCHEMBL8712698

SCHEMBL8712698

CCCCOC(=O)c1coc2ccc(Br)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
ATM Q13315 1/20 0.54
MAOA P21397 3/20 0.52
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46
PTPN1 P18031 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL2746940 0.83 MAOB (0.85) MAOBMAOATSHRTDP1L3MBTL1
SCHEMBL3350981 0.81 MAOB (0.65) MAOBMAOATSHRL3MBTL1PTPN1
SCHEMBL9844024 0.78 MAOB (0.57) MAOBATMTSHRGABRA1GABRB1
SCHEMBL31393683 0.78 MAOB (0.57) MAOBATMTSHRGABRA1GABRB1
SCHEMBL232582 0.78 TSHR (0.65) ATMTSHRTDP1L3MBTL1LMNA
SCHEMBL7950756 0.77 MAOB (0.64) MAOBMAOATSHRALDH1A1
SCHEMBL874939 0.76 ALDH1A1 (0.56) MAOBMAOAPTPN1MAPTHTT
SCHEMBL8709689 0.76 ATM (0.46) ATMPTPN1LMNAMAPT
SCHEMBL3344909 0.75 MAOB (0.61) MAOBMAOAPTPN1MAPTHTT
SCHEMBL23839278 0.74 ATM (0.60) ATMTSHRTDP1L3MBTL1LMNA

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
WO-1998027080-A1 CHROMONES USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1998-06-25 WO disclosed