SCHEMBL9843255

SCHEMBL9843255

NC(=NCc1ccc[n+]([O-])c1)N[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL27887659 0.81 GRIN2B (0.56) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9843115 0.73 POLB (0.42) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11114919 0.71 GRIN2B (0.50) POLBGRIN1GRIN2B
Mepiroxol SCHEMBL904581 0.63
SCHEMBL317676 0.63
Hydrochloric Acid SCHEMBL11458780 0.62 NAMPT (0.45) POLBGPR84
Hydrochloric Acid SCHEMBL2123585 0.62 GPR84 (0.49) GPR84
Hydrochloric Acid SCHEMBL4093687 0.62 GPR84 (0.49) GPR84
SCHEMBL11114960 0.61 POLB (0.48) POLB
SCHEMBL6179185 0.61 AKR1B1 (0.54) GPR84

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-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP claimed
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP disclosed