SCHEMBL7584641

SCHEMBL7584641

CC(=O)CC(=O)Nn1c(=O)c(=O)[nH]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.44
GRIA1 P42261 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
GRIK3 Q13003 4/20 0.44
GRIK2 Q13002 3/20 0.44
GRIK1 P39086 3/20 0.43
GRIK5 Q16478 2/20 0.43
TSHR P16473 2/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
MPO P05164 1/20 0.37
DAO P14920 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL1770261 0.86 MEN1 (0.46) TSHRSMN1; SMN2L3MBTL1GAAMEN1
SCHEMBL4704534 0.85 GRIA2 (0.50) GRIA2GRIA1GRIA3GRIA4GRIK3
SCHEMBL8372771 0.74 GRIA2 (0.40) GRIA2GRIA1GRIA3GRIA4GRIK3
SCHEMBL4705859 0.74 MPO (0.48) GRIA2GRIK3GRIK2TSHRSMN1; SMN2
SCHEMBL29580191 0.70 PSMB8 (0.55) GRIA2GRIA1GRIA3GRIA4PARP1
SCHEMBL4706735 0.70 PSMB8 (0.55) GRIA2GRIA1GRIA3GRIA4PARP1
SCHEMBL6583745 0.70 DAO (0.51) SMN1; SMN2L3MBTL1MEN1CYP1A2KMT2A
SCHEMBL9396483 0.68 KDM4E (0.72) GRIA2GRIA1GRIA3GRIA4TSHR
SCHEMBL7349965 0.67 DAO (0.66) GRIA2GRIA1GRIA3GRIA4PARP1
SCHEMBL982104 0.66 CYP1A2 (0.69) GRIA2GRIA1GRIA3GRIA4TSHR

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-0894831-B1 Monoazo pigments of the quinoxaline-acetarylide type CLARIANT GMBH (DE) 2002-10-09 EP disclosed
US-5910577-A YELLOW HUE, GREATER LIGHT AND WEATHER FASTNESS CLARIANT GMBH (DE) 1999-06-08 US disclosed
EP-0894831-A1 Monoazo pigments of the quinoxaline-acetarylide type Clariant GmbH (DE) 1999-02-03 EP disclosed