SCHEMBL29227010

SCHEMBL29227010

CN(C(=O)OC(C)(C)C)c1ccc2c(c1)OCC(=O)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.41
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL23768796 0.79 ITGB3 (0.56) BRD4L3MBTL1ITGB3ITGA2B
SCHEMBL30343028 0.79 ITGB3 (0.56) BRD4L3MBTL1ITGB3ITGA2B
SCHEMBL30248682 0.78 L3MBTL1 (0.48) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL29979065 0.74 BRD4 (0.55) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL5914780 0.74 BRD4 (0.55) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL30248614 0.74 ITGB3 (0.56) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL5914800 0.74 ITGB3 (0.56) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL1294844 0.74 GAA (0.45) BRD4L3MBTL1TSHRHTR6MEN1
SCHEMBL31411730 0.73 BRD4 (0.54) BRD4L3MBTL1ITGB3ITGA2BSCN9A
SCHEMBL18497019 0.72 BRD4 (0.58) BRD4L3MBTL1ITGB3ITGA2BSCN9A

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-118019738-A Small molecule urea derivatives as STING antagonists 库拉德夫制药私人有限公司 2024-05-10 CN disclosed