SCHEMBL9364703

SCHEMBL9364703

C=CCOn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIA1 P42261 3/20 0.34
GRIA2 P42262 3/20 0.34
GRIA3 P42263 3/20 0.34
GRIA4 P48058 3/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK4 Q16099 2/20 0.34
GRIK5 Q16478 2/20 0.34
ALOX15 P16050 1/20 0.34
IDH1 O75874 1/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL9364648 0.83 GRIA1 (0.43) KDM4EGRIA1GRIA2GRIA3GRIA4
SCHEMBL9365324 0.82 KDM4E (0.38) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9080817 0.81 SMN1; SMN2 (0.45) KDM4EALDH1A1HBBGRIA1GRIA2
SCHEMBL9368415 0.78 GRIA1 (0.39) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9365049 0.77 GRIA1 (0.39) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9364683 0.76 KDM4E (0.36) KDM4EALDH1A1HSD17B10ARGAA
SCHEMBL9364647 0.76 GRIA1 (0.41) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9091900 0.75 GRIA1 (0.40) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9365208 0.74 GRIA2 (0.39) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9364643 0.72 GRIA1 (0.38) KDM4EALDH1A1GRIA1GRIA2GRIA3

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