SCHEMBL7828017

SCHEMBL7828017

CCOc1cccc2c1C(OCC)(OCC)NC2=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GRK6 P43250 1/20 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
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.33
IGF1R P08069 1/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 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

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
SCHEMBL7826155 0.91 PDE5A (0.34) PDK2ALDH1A1KDM4EHPGDMAPT
SCHEMBL7826687 0.90 CYP1A2 (0.39) ALDH1A1KDM4ETDP1PDE5AL3MBTL1
SCHEMBL7816569 0.89 GAA (0.33) PDK2ALDH1A1KDM4ETDP1MAPT
SCHEMBL7815432 0.88 PDE5A (0.38) KDM4ETDP1MAPTPDE5ANPSR1
SCHEMBL7825435 0.88 PDE5A (0.38) KDM4ETDP1MAPTPDE5ANPSR1
SCHEMBL7829943 0.88 PDK2 (0.37) PDK2ALDH1A1GRK6KDM4EPPARG
SCHEMBL7827278 0.85 IGF1R (0.31) IGF1R
SCHEMBL7826158 0.84 LTA4H (0.35) ALDH1A1HPGDTDP1MAPT
SCHEMBL7823082 0.83 DAO (0.31) DAO
SCHEMBL7825414 0.81 NLRP3 (0.33) KDM4EHPGDMAPTDAOL3MBTL1

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