SCHEMBL1033645

SCHEMBL1033645

CC(C)Oc1ccc2c(O)c(OC(=O)NC(CO)CO)nc(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.38
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
SCN9A Q15858 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PCNA P12004 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
BBOX1 O75936 2/20 0.33
ACACB O00763 1/20 0.33
FTO Q9C0B1 1/20 0.33
MTNR1A P48039 1/20 0.33
ABL1 P00519 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
SCHEMBL1033757 0.96 SCN9A (0.35) EGLN1THRATHRBSCN9AEGLN2
SCHEMBL1030683 0.85 SMN1; SMN2 (0.47) EGLN1THRATHRBNPC1RAB9A
SCHEMBL523022 0.83 EGLN1 (0.51) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL1032619 0.82 THRA (0.39) EGLN1THRATHRBEGLN2NPC1
SCHEMBL1033387 0.82 FTO (0.46) EGLN1THRATHRBEGLN2BBOX1
SCHEMBL4078616 0.82 EGLN1 (0.41) EGLN1THRATHRBNPC1RAB9A
SCHEMBL1033585 0.81 THRA (0.41) EGLN1THRATHRBNPC1RAB9A
SCHEMBL1033120 0.81 SMN1; SMN2 (0.47) EGLN1THRATHRBNPC1RAB9A
SCHEMBL1032319 0.81 THRA (0.38) EGLN1THRATHRBNPC1RAB9A
SCHEMBL523248 0.78 EGLN1 (0.49) EGLN1THRATHRBEGLN2BBOX1

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