SCHEMBL5137768

SCHEMBL5137768

O=c1[nH]cc(I)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.52
MAPT P10636 3/20 0.44
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
LMNA P02545 3/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
CYP1A2 P05177 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GRIK3 Q13003 2/20 0.44
GRIK4 Q16099 2/20 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
SCHEMBL3293088 0.78 ALDH1A1 (0.63) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL4544154 0.76 KDM4E (1.00) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL3863268 0.76 KDM4E (0.61) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL173688 0.76 KDM4E (0.61) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL458846 0.76 KDM4E (0.61) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL4912309 0.72 KDM4E (0.56) KDM4EGRIA1GRIA2GRIA3GRIA4
SCHEMBL6249816 0.72 KDM4E (0.61) KDM4EPKMMAPTGRIA1GRIA2
SCHEMBL20945207 0.72 KDM4E (0.61) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL4057148 0.72 KDM4E (0.61) KDM4EMAPTGRIA1GRIA2GRIA3
SCHEMBL9731221 0.72 KDM4E (0.56) KDM4EMAPTGRIA1GRIA2GRIA3

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
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007017264-A2 PYRROLOPYRIDINEDERIVATIVES AS MODULATORS OF THE CANNABINOID RECEPTOR FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-15 WO disclosed