SCHEMBL7829943

SCHEMBL7829943

CCOc1cccc2c1C(OC)(OC)NC2=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GRK6 P43250 1/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35
STAT3 P40763 1/20 0.35
NCOA2 Q15596 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IGF1R P08069 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PTPRC P08575 1/20 0.33
PDE5A O76074 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL7825899 0.90 PDE5A (0.35) ALDH1A1HPGDMAPTKDM4EPDE5A
SCHEMBL7823190 0.88 CYP1A2 (0.40) HPGDMAPTKDM4EPDE5A
SCHEMBL7828017 0.88 PDK2 (0.37) PDK2ALDH1A1GRK6HPGDMAPT
SCHEMBL7826408 0.86 PDE5A (0.39) ALDH1A1MAPTPPARGPDE5A
SCHEMBL7827943 0.86 PDE5A (0.39) ALDH1A1MAPTPPARGPDE5A
SCHEMBL7831463 0.85 CA1 (0.36) PDK2ALDH1A1HPGDMAPTKDM4E
SCHEMBL7828597 0.81 IGF1R (0.30) IGF1R
SCHEMBL7816569 0.80 GAA (0.33) PDK2ALDH1A1MAPTKDM4ETDP1
SCHEMBL7826155 0.80 PDE5A (0.34) PDK2ALDH1A1HPGDMAPTKDM4E
SCHEMBL7828729 0.79 ALDH1A1 (0.36) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
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