SCHEMBL9682894

SCHEMBL9682894

N=C(N)Nc1ncnc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
KDR P35968 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.32
ROCK1 Q13464 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL28908003 0.79 BCL6 (0.47) BCL6SMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL135748 0.78 LMNA (0.31) LMNA
SCHEMBL3988247 0.76 HSP90AA1 (0.36) HSP90AA1
SCHEMBL15942897 0.73 L3MBTL1 (0.48) BCL6SMN1; SMN2ADORA3SLC6A2PDE4A
SCHEMBL4264509 0.71 HTT (0.38) HTTKDM4ELMNA
SCHEMBL6987146 0.71
SCHEMBL11022700 0.70 MAPT (0.33) MAPT
Sulfuric Acid SCHEMBL128158 0.69 CA1 (0.36) KDM4E
SCHEMBL11038105 0.69 SCN9A (0.46) KDM4EKCNH2SCN5ASCN9A
SCHEMBL11025980 0.69 MEN1 (0.43) RAB9AGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP claimed
EP-0499096-A1 Substituted arylsulfonylaminoguanidinotriazines BAYER AG (DE) 1992-08-19 EP disclosed