SCHEMBL8918850

SCHEMBL8918850

N=C1NC2(OCCO2)c2cc(Oc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDK2 Q15119 1/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
XDH P47989 1/20 0.36
PIM1 P11309 2/20 0.34
AKR1B1 P15121 2/20 0.33
GSK3B P49841 1/20 0.33
GSTP1 P09211 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 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
SCHEMBL8918297 0.78 PDK2 (0.39) MAPTTDP1L3MBTL1PDK2PIM1
SCHEMBL7817297 0.76 MAOB (0.49) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL7816522 0.76 MEN1 (0.34) GSK3B
SCHEMBL8917800 0.74 SLC6A2 (0.35) MAOAMAOBMAPTSLC6A2SLC6A4
SCHEMBL8918856 0.74 PDK2 (0.44) PDK2LMNA
SCHEMBL7817457 0.72 MAOA (0.44) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL8921050 0.71 MAOB (0.40) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL8919190 0.70 NPC1 (0.32) L3MBTL1
SCHEMBL7625779 0.70 MAOB (0.59) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL11669481 0.68 MAOA (0.76) MAOAMAOBMAPTTDP1L3MBTL1

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
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed