SCHEMBL7825876

SCHEMBL7825876

CCCCOc1ccc2c(c1)C(OC)(OC)NC2=N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 2/20 0.36
AHR P35869 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LTA4H P09960 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL7830265 0.96 PDK2 (0.47) PDK2MAPTPTPN1PTPN11NR5A1
SCHEMBL7824752 0.96 PDK2 (0.47) PDK2MAPTPTPN1PTPN11NR5A1
SCHEMBL7825895 0.94 PDK2 (0.44) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7817014 0.89 PDK2 (0.42) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7830753 0.89 MEN1 (0.40) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7827909 0.88 PDK2 (0.42) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7825985 0.85 PDK2 (0.46) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7827212 0.85 PDK2 (0.46) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7827204 0.85 PDK2 (0.42) PDK2KMT2AMEN1MAPTNPC1
SCHEMBL7830530 0.85 PDK2 (0.42) PDK2KMT2AMEN1MAPTNPC1

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