SCHEMBL9364786

SCHEMBL9364786

O=C(O)Cc1ccc2[nH]c(=O)c(=O)n(O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
PPARG P37231 2/20 0.43
GRIA1 P42261 4/20 0.40
GRIA2 P42262 4/20 0.40
GRIA3 P42263 4/20 0.40
GRIA4 P48058 4/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL9365264 0.83 TSHR (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL9368705 0.82 DAO (0.48) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL9364640 0.79 DAO (0.39) KDM4EGRIA1GRIA2GRIA3GRIA4
SCHEMBL2802039 0.77 B3GNT2 (0.52) KDM4EHPGDALDH1A1KMT2AGRIA1
SCHEMBL23589295 0.76 GRIN2D (0.69) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8145145 0.73 DAO (0.70) KDM4EMEN1KMT2ADAO
SCHEMBL9364597 0.73 DAO (0.70) KDM4EHSD17B10ALDH1A1MAPTTSHR
SCHEMBL9364598 0.73 DAO (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9368648 0.73 DAO (0.44) HSD17B10ALDH1A1KMT2ADAO
SCHEMBL2801209 0.72 HDAC6 (0.42) KDM4EALDH1A1MAPTPOLBDAO

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