SCHEMBL28019463

SCHEMBL28019463

O=C(O)C1=CCCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SLC6A1 P30531 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
BLM P54132 2/20 0.39
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37

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
SCHEMBL6779799 0.77
SCHEMBL22366730 0.75
SCHEMBL1355431 0.70 TSHR (0.37) TSHRSLC6A1SLC6A13BLMGABRP
SCHEMBL6636855 0.70
SCHEMBL819903 0.66 CCR2 (0.35) TSHRSLC6A1SLC6A13BLMGABRP
SCHEMBL23610173 0.65
SCHEMBL4194302 0.65
SCHEMBL21001898 0.65
SCHEMBL8384534 0.65
SCHEMBL2002341 0.65

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
CN-105073744-A Novel heterocyclic compounds as bromodomain inhibitors RVX THERAPEUTICS INC 2015-11-18 CN disclosed