SCHEMBL8920310

SCHEMBL8920310

CCCCCCOc1ccc2c(c1)C1(NC2=N)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
PTPN11 Q06124 4/20 0.39
NR5A1 Q13285 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TSHR P16473 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 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
SCHEMBL8918856 1.00 PDK2 (0.44) PDK2THRATHRBPTPN11NR5A1
SCHEMBL8921438 0.91 PDK2 (0.39) PDK2THRATHRBPTPN11NR5A1
SCHEMBL8918297 0.86 PDK2 (0.39) PDK2LMNA
SCHEMBL8920315 0.85 PDK2 (0.43) PDK2THRATHRBPTPN11NR5A1
SCHEMBL8918861 0.85 PDK2 (0.43) PDK2THRATHRBPTPN11NR5A1
SCHEMBL8920583 0.81 PDK2 (0.40) PDK2THRATHRBPTPN11LMNA
SCHEMBL7824752 0.80 PDK2 (0.47) PDK2THRATHRBPTPN11NR5A1
SCHEMBL7830265 0.80 PDK2 (0.47) PDK2THRATHRBPTPN11NR5A1
SCHEMBL7827212 0.78 PDK2 (0.46) PDK2THRATHRBPTPN11NR5A1
SCHEMBL7825985 0.78 PDK2 (0.46) PDK2THRATHRBPTPN11NR5A1

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