SCHEMBL8365502

SCHEMBL8365502

N#CCCNc1nc(N)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
THRB P10828 1/20 0.37
PLAU P00749 2/20 0.36
HTR7 P34969 5/20 0.35
HTR1A P08908 4/20 0.35
DRD2 P14416 4/20 0.35
HTR2A P28223 4/20 0.35
HTR6 P50406 4/20 0.35
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31

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
SCHEMBL9388486 0.84 THRB (0.43) THRBPLAUGAAHTTALDH1A1
SCHEMBL380440 0.79 CA1 (0.47) CA1CA2CA9HTR7HTR1A
SCHEMBL8630915 0.75 THRB (0.37) THRBPLAUGAAHTTALDH1A1
SCHEMBL11686946 0.75 LMNA (0.43) CA1CA2CA9THRBPLAU
SCHEMBL11117673 0.75 THRB (0.41) CA1CA2CA9THRBPLAU
SCHEMBL1411113 0.75 HTR7 (0.46) CA1CA2CA9HTR7HTR1A
SCHEMBL1411032 0.75 HTR7 (0.50) CA1CA2CA9HTR7HTR1A
SCHEMBL4235972 0.74 GAA (0.42) THRBPLAUGAAHTTALDH1A1
SCHEMBL31379938 0.74 NPC1 (0.39) CA1CA2CA9PLAUHTR7
SCHEMBL10454909 0.73 HTR7 (0.51) CA1CA2CA9HTR7HTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945446-A1 CYANOETHYLMELAMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-09-29 EP claimed
JP-8311047-A None JP disclosed
EP-0945446-A4 CYANOETHYLMELAMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 1999-12-08 EP disclosed
EP-0945446-A1 CYANOETHYLMELAMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-09-29 EP disclosed
EP-0945446-A1 CYANOETHYLMELAMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-09-29 EP disclosed
WO-1998021191-A1 CYANOETHYLMELAMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-22 WO disclosed
JP-H08311047-A CYANOETHYLMELAMINE DERIVATIVE AND ITS PRODUCTION NISSAN CHEM IND LTD 1996-11-26 JP disclosed