SCHEMBL6060946

SCHEMBL6060946

CCOCc1c(C(=O)OCC)ncc2cc(Oc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.49
EGLN2 Q96KS0 12/20 0.48
PTGS2 P35354 2/20 0.47
GABRA1 P14867 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL6060364 0.90 EGLN1 (0.52) EGLN1EGLN2
SCHEMBL22493050 0.89 EGLN1 (0.51) EGLN1EGLN2PTGS2GABRA1GABRG2
Hydrochloric Acid SCHEMBL22588812 0.88 EGLN1 (0.53) EGLN1EGLN2PTGS2GABRA1GABRG2
SCHEMBL523263 0.84 EGLN1 (0.64) EGLN1EGLN2PTGS2
SCHEMBL3914540 0.84 EGLN1 (0.70) EGLN1EGLN2
SCHEMBL6059798 0.83 EGLN1 (0.48) EGLN1EGLN2GABRA1GABRG2GABRB3
SCHEMBL5315433 0.83 EGLN1 (0.50) EGLN1EGLN2
SCHEMBL6060051 0.80 EGLN1 (0.48) EGLN1EGLN2ALDH1A1MAPTHPGD
SCHEMBL6059995 0.80 EGLN1 (0.56) EGLN1EGLN2
SCHEMBL6059867 0.79 EGLN1 (0.52) EGLN1EGLN2

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-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO disclosed