SCHEMBL8910771

SCHEMBL8910771

O=c1[nH]c2cc(C(F)(F)F)c(N3CCCCC3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
RIOK2 Q9BVS4 1/20 0.37
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 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
SCHEMBL8911380 0.89 NOTUM (0.45) NOTUMRIOK2
SCHEMBL8911334 0.89 PDE3B (0.40) RIOK2GRIA1GRIA2GRIA3GRIA4
SCHEMBL7347889 0.79 PARP1 (0.39) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8912871 0.78 NOTUM (0.39) NOTUMGRIA1GRIA2GRIA3GRIA4
SCHEMBL8912056 0.78 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911468 0.78 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911793 0.77 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911174 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911163 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4KDM4E
Hydrochloric Acid SCHEMBL8912261 0.76 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4

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-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP claimed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US claimed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed