SCHEMBL9618307

SCHEMBL9618307

NC(=NCc1ccccc1)NO

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.67
GRIN1 Q05586 8/20 0.67
SIGMAR1 Q99720 3/20 0.67
GRIN2D O15399 2/20 0.67
GRIN3B O60391 2/20 0.67
GRIN2A Q12879 2/20 0.67
GRIN2C Q14957 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
NOS2 P35228 1/20 0.57
SCN2A Q99250 1/20 0.51
IDO1 P14902 1/20 0.47
TPH1 P17752 1/20 0.46

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
SCHEMBL4697155 0.83 GRIN2B (0.67) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL16702044 0.82 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
Iodide SCHEMBL28653084 0.82 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL5586439 0.82 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL28128817 0.80 GRIN2B (0.62) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL1275831 0.80 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL3692033 0.79 GRIN2B (0.61) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL9633313 0.79 GRIN2B (0.61) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL18690743 0.79 SCN2A (0.63) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL14058806 0.79 GRIN2B (0.61) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B

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
JP-4297449-A None JP disclosed
JP-H04297449-A N-HYDROXYBENZYLGUANIDINE DERIVATIVE AND GERMICIDE FOR AGRICULTURE AND HORTICULTURE HOKKO CHEM IND CO LTD 1992-10-21 JP disclosed