SCHEMBL28018145

SCHEMBL28018145

CC(Br)c1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
FKBP5 Q13451 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PPARG P37231 1/20 0.33
RIN1 Q13671 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CRBN Q96SW2 1/20 0.32
PTGS2 P35354 1/20 0.32
IDH1 O75874 1/20 0.31
MAP4K4 O95819 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL1104783 0.83 NOTUM (0.42) NOTUMGRM8GRM4FKBP5HDAC6
SCHEMBL24253389 0.79 GRM8 (0.42) NOTUMGRM8GRM4FKBP5HDAC6
SCHEMBL19441070 0.79 NOTUM (0.39) NOTUMGRM8GRM4FKBP5HDAC6
SCHEMBL28265713 0.78 HDAC6 (0.45) NOTUMGRM8GRM4FKBP5HDAC6
SCHEMBL19365913 0.76 HDAC4 (0.46) NOTUMGRM8GRM4FKBP5NSD2
SCHEMBL18474686 0.73 GRM8 (0.39) NOTUMGRM8GRM4NSD2ABL1
SCHEMBL27377916 0.71 NOTUM (0.37) NOTUMGRM8GRM4PTGS2
SCHEMBL28018148 0.70 ALDH1A1 (0.48) GRM8GRM4FKBP5IDH1
SCHEMBL13741453 0.69 PTGS2 (0.43) NOTUMGRM8GRM4L3MBTL1PTGS2
SCHEMBL25064753 0.68 GRM8 (0.38) NOTUMGRM8GRM4NSD2ABL1

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-104736535-A Heterocyclic modulators of hif activity for treatment of disease JONES PHILIP 2015-06-24 CN disclosed