SCHEMBL8910484

SCHEMBL8910484

CC(C)(C)OC(=O)C(NCCCNS(=O)(=O)C(F)(F)F)c1cccc2ncc(CO)n12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GFPT1 Q06210 1/20 0.30

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
SCHEMBL8908698 0.77 EPHX1 (0.32) IDO1
SCHEMBL7875570 0.76 SSTR4 (0.36) IDO1EGLN1
SCHEMBL7872248 0.68 CA14 (0.34) IDO1
SCHEMBL7868760 0.66 CA14 (0.34) IDO1EGLN1
SCHEMBL7870117 0.66 CA14 (0.33) IDO1EGLN1
SCHEMBL7871615 0.65 CA14 (0.33) IDO1
SCHEMBL7863559 0.62 SSTR4 (0.37) IDO1EGLN1
SCHEMBL7871574 0.62 IDO1 (0.31) IDO1EGLN1MEN1HTTKMT2A
SCHEMBL7863583 0.61 CA14 (0.36) IDO1EGLN1
SCHEMBL7875500 0.61 CA14 (0.35) IDO1EGLN1

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-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO disclosed