SCHEMBL11220525

SCHEMBL11220525

OC1c2ccccc2OC(c2ccccc2)C1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
GUSB P08236 3/20 0.35
PTPN1 P18031 1/20 0.35
NR3C1 P04150 1/20 0.34
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
OPRD1 P41143 1/20 0.32
EDNRA P25101 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
SCHEMBL11212671 0.83 GABRA1 (0.44) MAOBMEN1LMNAMAPTKMT2A
SCHEMBL30775734 0.81 MAOA (0.41) MAOAMAOBESR1ESR2LTB4R
SCHEMBL170331 0.81 MAOA (0.41) MAOAMAOBESR1ESR2LTB4R
SCHEMBL1257771 0.81 MAOA (0.41) MAOAMAOBESR1ESR2LTB4R
SCHEMBL13287870 0.79 MAOB (0.38) MAOAMAOBESR1ESR2LTB4R
SCHEMBL11403457 0.76 MAOB (0.39) MAOAMAOBLTB4RLTB4R2GUSB
SCHEMBL28134428 0.75 MAOA (0.45) MAOAMAOBESR1ESR2LTB4R
SCHEMBL3283389 0.73 MAOB (0.39) MAOAMAOBESR1ESR2LTB4R
SCHEMBL7241380 0.71 MAOA (0.38) MAOAMAOBESR1ESR2RET
SCHEMBL25669484 0.71 MAOA (0.38) MAOAMAOBESR1ESR2LTB4R

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
US-4334067-A ANTICONVULASANTS, ANTIULCER AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1982-06-08 US disclosed