SCHEMBL1033428

SCHEMBL1033428

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 1/20 0.36
RAD52 P43351 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CYP2D6 P10635 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KAT2B Q92831 2/20 0.33
MAOB P27338 1/20 0.33
UHRF1 Q96T88 1/20 0.33
ALOX5 P09917 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
SCHEMBL1032319 0.96 THRA (0.38) NPC1RAB9AMTNR1ARAD52SMN1; SMN2
SCHEMBL1033120 0.89 SMN1; SMN2 (0.47) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL1034732 0.88 NPC1 (0.38) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL1031021 0.87 NPC1 (0.38) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL1030683 0.85 SMN1; SMN2 (0.47) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL522336 0.84 EGLN1 (0.48) RAD52HRH4HRH3THRATHRB
SCHEMBL1032619 0.84 THRA (0.39) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL1032271 0.83 FTO (0.43) RAD52EGLN1
SCHEMBL1033585 0.83 THRA (0.41) NPC1RAB9AMTNR1ASMN1; SMN2THRA
SCHEMBL1033757 0.81 SCN9A (0.35) NPC1RAB9AMTNR1ATHRATHRB

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