SCHEMBL1028657

SCHEMBL1028657

CC(C)Oc1ccc2c(Cl)nc(C(=O)N3CCC[C@H]3OC(=O)O)c(O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
FFAR4 Q5NUL3 3/20 0.34
BBOX1 O75936 2/20 0.34
FTO Q9C0B1 1/20 0.34
MAPK7 Q13164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
EGLN2 Q96KS0 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL1030669 1.00 EGLN1 (0.36) EGLN1THRATHRBFFAR4BBOX1
SCHEMBL523208 0.87 NPSR1 (0.44) EGLN1THRATHRBRAB9A
SCHEMBL522330 0.87 NPSR1 (0.44) EGLN1THRATHRBRAB9A
SCHEMBL522331 0.87 NPSR1 (0.44) EGLN1THRATHRBRAB9A
SCHEMBL1031822 0.83 EGLN1 (0.44) EGLN1THRATHRBBBOX1FTO
SCHEMBL1032206 0.83 EGLN1 (0.44) EGLN1THRATHRBBBOX1FTO
SCHEMBL522422 0.76 EGLN1 (0.45) EGLN1THRATHRBBBOX1FTO
Bicarbonate SCHEMBL1032448 0.73 EGLN1 (0.46) EGLN1THRATHRBBBOX1FTO
SCHEMBL27762056 0.72 EGLN1 (0.39) EGLN1THRATHRBBBOX1FTO
SCHEMBL4078672 0.72 ALDH1A1 (0.39) EGLN1THRATHRBBBOX1FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644336-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN INC (US) 2011-01-19 EP claimed