SCHEMBL8919366

SCHEMBL8919366

CC(C)CC(C)COc1ccc2c(c1)C1(NC2=N)OC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL8917949 0.92 BRD4 (0.32) PDK2AAK1BRD4CREBBP
SCHEMBL8918299 0.83 PDK2 (0.38) PDK2
SCHEMBL8919076 0.81 PDK2 (0.40) PDK2
SCHEMBL8920583 0.81 PDK2 (0.40) PDK2
SCHEMBL7831451 0.80 PDK2 (0.38) PDK2AAK1
SCHEMBL8918861 0.78 PDK2 (0.43) PDK2
SCHEMBL8920315 0.78 PDK2 (0.43) PDK2
SCHEMBL8920291 0.77
SCHEMBL7817399 0.77 PDK2 (0.36) PDK2AAK1
SCHEMBL8919145 0.76

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