SCHEMBL9704461

SCHEMBL9704461

CCOC(=O)c1nc2cc(F)c(F)cc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIA1 P42261 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA3 P42263 2/20 0.43
GRIA4 P48058 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43
GRIK5 Q16478 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL11349805 0.86 LMNA (0.43) LMNAGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL6705309 0.86 ALDH1A1 (0.46) LMNAGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL6605386 0.86 CHEK1 (0.49)
SCHEMBL6604320 0.84 TSHR (0.48) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL9703575 0.84 GRIN2D (0.63) LMNAGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL9705717 0.84 SIRT2 (0.44) LMNAGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL9703959 0.83 KMT2A (0.54) LMNAKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL6375213 0.81 ALDH1A1 (0.53) LMNAKDM4EMAPTALDH1A1HPGD
SCHEMBL6377630 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11258206 0.80 GRIN2D (0.51) LMNAGRIN2DGRIN3BGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed