SCHEMBL7594904

SCHEMBL7594904

OC1c2ccccc2OC(I)C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
GUSB P08236 3/20 0.34
NR3C1 P04150 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP11B2 P19099 1/20 0.31
EDNRA P25101 1/20 0.31
HDAC4 P56524 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL3283389 0.82 MAOB (0.39) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL170331 0.73 MAOA (0.41) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL1257771 0.73 MAOA (0.41) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL30775734 0.73 MAOA (0.41) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL11220525 0.70 MAOA (0.38) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL13287870 0.70 MAOB (0.38) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL27833117 0.69 MAOA (0.48) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL11342705 0.67 EDNRA (0.42) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL5546129 0.66 MAOB (0.45) MAOBMAOALTB4RLTB4R2GUSB
SCHEMBL7557450 0.66 MAOA (0.45) MAOBMAOALTB4RLTB4R2GUSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO disclosed