SCHEMBL1842406

SCHEMBL1842406

O=c1onc(N2C=CON2)n1-c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.40
▸ PIK3CA P42336 3/20 0.34
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
Iodide SCHEMBL1845139 0.99 AR (0.39) ARPIK3CARXRAGRIN1GRIN2B
SCHEMBL1843580 0.82 CYP1A2 (0.44) AR
Iodide SCHEMBL21404890 0.72 STK17A (0.35) AR
SCHEMBL20198943 0.68 IDO1 (0.41) ARPIK3CA
SCHEMBL30449560 0.68 IDO1 (0.41) ARPIK3CA
SCHEMBL21118137 0.65 IDO1 (0.39) ARPIK3CARXRAGRIN1GRIN2B
SCHEMBL30865862 0.65 AR (0.46) ARPIK3CA
SCHEMBL21118144 0.64 IDO1 (0.40) ARPIK3CA
Iodide SCHEMBL30865863 0.64 AR (0.45) ARPIK3CA
SCHEMBL179729 0.63 IDO1 (0.46) ARPIK3CARXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315756-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2011-05-04 — — EP disclosed
WO-2010005958-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2010-01-14 — — WO disclosed
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