SCHEMBL6037182

SCHEMBL6037182

O=[N+]([O-])c1cc2[nH]c3cc([N+](=O)[O-])c([N+](=O)[O-])cc3c2cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.61
GRIA1 P42261 3/20 0.61
GRIA3 P42263 3/20 0.61
GRIA4 P48058 3/20 0.61
CYP1A2 P05177 2/20 0.61
MAPT P10636 2/20 0.61
GRIK1 P39086 2/20 0.61
GRIK2 Q13002 2/20 0.61
GRIK3 Q13003 2/20 0.61
GRIK4 Q16099 2/20 0.61
GRIK5 Q16478 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
BLM P54132 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61

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
SCHEMBL8129404 0.80 MAPT (0.60) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL13197693 0.79 TDP1 (0.50) GRIA2GRIA1GRIA3GRIA4CYP1A2
Dnqx SCHEMBL594575 0.76 GRIA2 (1.00) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL13624125 0.76 MAPT (0.75) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL9390031 0.74 GRIN2D (0.58) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL6757995 0.73 GABRP (0.52) MAPTSIRT2KIF11GABRPGABRD
SCHEMBL8688932 0.73 TSHR (0.55) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL30554364 0.70 MAPT (0.44) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL20916841 0.70 MAPT (0.44) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL9479012 0.69 MAPT (0.49) GRIA2GRIA1GRIA3GRIA4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060070135-A1 Compositions and methods for inhibiting the enzymatic activity of PTP-1B TREMBLAY MICHEL 2006-03-30 US disclosed