SCHEMBL8921050

SCHEMBL8921050

CC1OC2(NC(=N)c3cc(Oc4ccccc4)ccc32)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
MAOA P21397 4/20 0.40
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 1/20 0.33
LTA4H P09960 3/20 0.33
GSTP1 P09211 1/20 0.32
PIM1 P11309 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8919249 0.79 MEN1 (0.36) MAOBMAOAMAPTL3MBTL1PDK2
SCHEMBL7830483 0.77 MAOB (0.49) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL8921444 0.76 PDK2 (0.38) MAPTTDP1PDK2TSHR
SCHEMBL8917808 0.75 SLC6A2 (0.35) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL8918851 0.75 PPOX (0.32)
SCHEMBL8917739 0.74 SLC6A2 (0.35) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL7826901 0.73 MAOA (0.44) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL8918850 0.71 MAOA (0.46) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL7625779 0.71 MAOB (0.59) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL8918880 0.70 TDP1 (0.40) TDP1TSHR

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