SCHEMBL8918917

SCHEMBL8918917

N=C1NC2(CCCOO2)c2ccc(Oc3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.31
XDH P47989 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8919302 0.91 MAOA (0.37) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL8918878 0.84 PDE7A (0.36) PDK2
SCHEMBL8920391 0.81 CYP3A4 (0.36) MAPTTDP1PDK2
SCHEMBL8919595 0.80
SCHEMBL8921435 0.78 KDM4E (0.30)
SCHEMBL8919771 0.78 PDE7A (0.33)
SCHEMBL8919068 0.78 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL8920247 0.77 PDK2 (0.35) MAPTL3MBTL1PDK2
SCHEMBL8922200 0.77 PDK2 (0.35) MAPTL3MBTL1PDK2
SCHEMBL8920860 0.77 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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