SCHEMBL8920583

SCHEMBL8920583

CCCCOc1ccc2c(c1)C1(NC2=N)OC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
THRA P10827 2/20 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
SCHEMBL8918861 0.96 PDK2 (0.43) PDK2MAPTTHRATHRBPTPN11
SCHEMBL8920315 0.96 PDK2 (0.43) PDK2MAPTTHRATHRBPTPN11
SCHEMBL8919076 0.95 PDK2 (0.40) PDK2KMT2AMEN1MAPTALDH1A1
SCHEMBL8920374 0.90 KMT2A (0.36) PDK2KMT2AMEN1NPC1MAPT
SCHEMBL8918299 0.90 PDK2 (0.38) PDK2KMT2AMEN1MAPTALDH1A1
SCHEMBL8921444 0.87 PDK2 (0.38) PDK2MAPTTHRATHRBPTPN11
SCHEMBL8919249 0.85 MEN1 (0.36) PDK2KMT2AMEN1NPC1MAPT
SCHEMBL8919366 0.81 PDK2 (0.34) PDK2
SCHEMBL8918856 0.81 PDK2 (0.44) PDK2THRATHRBPTPN11LMNA
SCHEMBL8920310 0.81 PDK2 (0.44) PDK2THRATHRBPTPN11LMNA

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