SCHEMBL7828451

SCHEMBL7828451

CCCOc1ccc2c(c1)C(OCC)(OCC)NC2=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.42
C3AR1 Q16581 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
SLC2A1 P11166 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 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
SCHEMBL7817014 0.95 PDK2 (0.42) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7825985 0.91 PDK2 (0.46) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL7827212 0.91 PDK2 (0.46) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL7826393 0.90 PDK2 (0.41) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL7827484 0.89 PDK2 (0.37) PDK2C3AR1MEN1KMT2AMAOA
SCHEMBL7825895 0.89 PDK2 (0.44) PDK2C3AR1MEN1KMT2AMAOA
SCHEMBL7825772 0.85 ALDH1A1 (0.35) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7815934 0.84 MEN1 (0.41) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7825876 0.83 PDK2 (0.44) PDK2MEN1KMT2AMAOAMAOB
SCHEMBL7817399 0.81 PDK2 (0.36) PDK2

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