SCHEMBL5670677

SCHEMBL5670677

NC(N)=NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
GRIN2B Q13224 5/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
FFAR1 O14842 1/20 0.47
PARP10 Q53GL7 1/20 0.47
NOS2 P35228 1/20 0.47
SRD5A2 P31213 1/20 0.46
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
TSHR P16473 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44

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
SCHEMBL45769 0.82 GRIN2B (0.68) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7206541 0.80 GRIN2B (0.65) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL4629266 0.80 GRIN2B (0.72) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL1737052 0.79 GRIN1 (0.62) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4093147 0.77 GRIN2B (0.65) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4100878 0.74 ADRA2A (0.58) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Sulfuric Acid SCHEMBL4014387 0.73 LMNA (0.65) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL2734987 0.72 SRD5A2 (0.62) LTA4HFFAR1PARP10SRD5A2
SCHEMBL13673488 0.72 LTA4H (0.57) LTA4HFFAR1PARP10SRD5A2NR1H2
SCHEMBL1744936 0.71 LTA4H (1.00) LTA4HFFAR1SRD5A2NR1H2BAX

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-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO claimed