SCHEMBL9364647

SCHEMBL9364647

CCOC(=O)On1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.41
GRIA2 P42262 3/20 0.41
GRIA3 P42263 3/20 0.41
GRIA4 P48058 3/20 0.41
KMT2A Q03164 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK4 Q16099 1/20 0.37
GRIK5 Q16478 1/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL9365049 0.88 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9368415 0.86 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9364643 0.82 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9365324 0.81 KDM4E (0.38) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9364648 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9365208 0.80 GRIA2 (0.39) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9364703 0.76 KDM4E (0.35) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9091900 0.75 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9080817 0.74 SMN1; SMN2 (0.45) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL9364683 0.74 KDM4E (0.36) ARALDH1A1

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