SCHEMBL8593265

SCHEMBL8593265

CC(=O)Nn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GRIA1 P42261 5/20 0.48
GRIA2 P42262 5/20 0.48
GRIA3 P42263 5/20 0.48
GRIA4 P48058 5/20 0.48
GRIK1 P39086 4/20 0.48
GRIK2 Q13002 4/20 0.48
GRIK3 Q13003 4/20 0.48
GRIK5 Q16478 4/20 0.48
PARP1 P09874 1/20 0.44
GRIK4 Q16099 3/20 0.38
CYP3A4 P08684 2/20 0.37
AR P10275 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
CES2 O00748 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8687373 0.89 CA12 (0.48) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8688995 0.84 GRIK3 (0.56) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8687475 0.84 GRIK3 (0.51) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8687221 0.83 GRIA2 (0.59) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8687379 0.83 GRIA1 (0.49) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8688421 0.82 GRIA2 (0.47) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8686996 0.81 GRIA2 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8687548 0.81 GRIK3 (0.50) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8692369 0.81 GRIK3 (0.48) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL8589503 0.79 CA12 (0.47) CA12CA9GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873321-A1 NOVEL AMIDO QUINOXALINE DIONES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
US-5773439-A Amido-quinoxalinediones, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
WO-1995035289-A1 NOVEL AMIDO QUINOXALINE DIONES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed