SCHEMBL8413837

SCHEMBL8413837

CCCCN(CCO)S(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GRIA1 P42261 5/20 0.44
▸ GRIA2 P42262 5/20 0.44
▸ GRIA3 P42263 5/20 0.44
▸ GRIA4 P48058 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ CYP1A2 P05177 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
▸ GRIK5 Q16478 2/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 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
SCHEMBL8413913 0.93 GRIA2 (0.51) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8414119 0.83 GRIA2 (0.54) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8415885 0.76 GRIA2 (0.59) VCAM1POLBGRIA1GRIA2GRIA3
SCHEMBL8415935 0.75 GRIA2 (0.50) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8414072 0.72 MAPT (0.47) SMN1; SMN2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8413952 0.72 GRIA2 (0.53) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8415292 0.69 GRIA2 (0.65) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL31236083 0.69 GRIA2 (0.65) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8414052 0.69 GRIA2 (0.65) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8415895 0.68 SMN1; SMN2 (0.62) VCAM1POLBSMN1; SMN2GRIN2DGRIN3B

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-5912245-A AMPA AND KAINATE ANTAGONISTS. EGIS GYOGYSZERGYAR RT. (HU) 1999-06-15 — — US disclosed
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