SCHEMBL9364640

SCHEMBL9364640

N#CCc1ccc2[nH]c(=O)c(=O)n(O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.39
NEK1 Q96PY6 1/20 0.39
PARP1 P09874 3/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL9368705 0.82 DAO (0.48) DAOPARP1GRIA1GRIA2GRIA3
SCHEMBL9364786 0.79 KDM4E (0.51) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL9365531 0.79 FASN (0.44) DAO
SCHEMBL9365264 0.75 TSHR (0.46) DAOPARP1KDM4E
SCHEMBL9368648 0.73 DAO (0.44) DAO
SCHEMBL9364597 0.73 DAO (0.70) DAOKDM4E
SCHEMBL8145145 0.73 DAO (0.70) DAOKDM4E
SCHEMBL9364598 0.73 DAO (0.70) DAOPARP1
SCHEMBL9364584 0.72 GRIA1 (0.41) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL2802039 0.71 B3GNT2 (0.52) DAOPARP1GRIA1GRIA2GRIA3

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
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP claimed
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed