SCHEMBL8415935

SCHEMBL8415935

C=CCN(CC=C)S(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 6/20 0.50
▸ GRIA1 P42261 5/20 0.50
▸ GRIA3 P42263 5/20 0.50
▸ GRIA4 P48058 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GRIK1 P39086 3/20 0.50
▸ GRIK2 Q13002 3/20 0.50
▸ GRIK3 Q13003 3/20 0.50
▸ GRIK4 Q16099 3/20 0.50
▸ GRIK5 Q16478 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50

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
SCHEMBL8414119 0.83 GRIA2 (0.54) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8413913 0.81 GRIA2 (0.51) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8415885 0.78 GRIA2 (0.59) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8415259 0.78 GRIA2 (0.51) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8413837 0.75 VCAM1 (0.47) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL15660693 0.75 ALDH1A1 (0.49) MAPTCYP1A2HPGDCYP3A4TSHR
SCHEMBL31236083 0.73 GRIA2 (0.65) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8414052 0.73 GRIA2 (0.65) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8415292 0.73 GRIA2 (0.65) GRIA2GRIA1GRIA3GRIA4MAPT
SCHEMBL8602043 0.72 KDM4E (0.38) MAPTLMNATSHRKDM4EMEN1

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
Send feedback