SCHEMBL8612184

SCHEMBL8612184

COC(=O)c1cccn1-c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 9/20 0.53
GRIA2 P42262 9/20 0.53
GRIA3 P42263 9/20 0.53
GRIA4 P48058 9/20 0.53
GRIK1 P39086 4/20 0.53
GRIK2 Q13002 4/20 0.53
GRIK3 Q13003 4/20 0.53
GRIK4 Q16099 4/20 0.53
GRIK5 Q16478 4/20 0.53
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 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
SCHEMBL8612108 0.81 GRIK1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8607444 0.81 MAPT (0.39) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8612845 0.81 OPRM1 (0.39) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610303 0.81 GRIK1 (0.41) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL3343914 0.80 MEN1 (0.57) LMNACYP1A2MAPTHPGD
SCHEMBL8072110 0.79 ALDH1A1 (0.44) LMNACYP1A2CYP3A4MAPTHPGD
SCHEMBL28999954 0.79 MAPT (0.46) LMNACYP1A2CYP3A4MAPTHPGD
SCHEMBL29271622 0.79 SMN1; SMN2 (0.46) LMNACYP1A2MAPTHPGD
SCHEMBL30803845 0.79 VCAM1 (0.48) LMNACYP1A2MAPTHPGD
SCHEMBL3341502 0.79 VCAM1 (0.48) LMNACYP1A2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed