SCHEMBL8919172

SCHEMBL8919172

CCOc1cccc2c1C(=N)NC21OC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 5/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 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
SCHEMBL8921225 0.90 PRKCA (0.34) HTR2BCYP2A6
SCHEMBL8919517 0.89 PRKCA (0.38) MAPTPOLB
SCHEMBL8919755 0.87 PRKCA (0.43) HTR2BSLC6A3MEN1MAPTKMT2A
SCHEMBL8919135 0.87 PRKCA (0.43) HTR2BSLC6A3MEN1MAPTKMT2A
SCHEMBL8921486 0.85 PDK2 (0.34) PDK2HTR1AKMT2ANR3C1
SCHEMBL8919166 0.83 PDK2 (0.39) PDK2ADRB2HTR1ASLC6A2HTR2A
SCHEMBL8919145 0.82
SCHEMBL8917739 0.81 SLC6A2 (0.35) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8919959 0.80 ALDH1A1 (0.34) PDK2HTR2AHTR2BDDB1CRBN
SCHEMBL7824104 0.77 PDK2 (0.43) PDK2DDB1CRBNALDH1A1KDM4E

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