SCHEMBL8921046

SCHEMBL8921046

N=C1NC2(OCCO2)c2ccc(Oc3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
XDH P47989 1/20 0.36
PDK2 Q15119 1/20 0.35
PIM1 P11309 2/20 0.34
AKR1B1 P15121 2/20 0.33
GSK3B P49841 1/20 0.33
GSTP1 P09211 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL8918850 0.89 MAOA (0.46) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL8919281 0.78 ALDH1A1 (0.40) MAPTTDP1L3MBTL1PDK2PIM1
SCHEMBL7830483 0.76 MAOB (0.49) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL7816522 0.76 MEN1 (0.34) GSK3B
SCHEMBL8918917 0.75 MAOA (0.37) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL8917800 0.74 SLC6A2 (0.35) MAOAMAOBMAPTSLC6A2SLC6A4
SCHEMBL8918847 0.74 PPOX (0.37) PDK2AKR1B1
SCHEMBL7625779 0.73 MAOB (0.59) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL11669481 0.71 MAOA (0.76) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL27429411 0.68 MAOB (0.45) MAOAMAOBXDHPDK2GSTP1

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
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed