SCHEMBL23400545

SCHEMBL23400545

Cc1cccc(-n2nc(-c3ccccc3C)c(CC(C)C)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RPA1 P27694 1/20 0.39
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL23400890 0.89 TSHR (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL23398480 0.87 CA1 (0.38) ALDH1A1MAPTLMNAMAPK13MAPK12
SCHEMBL23403473 0.87 RPA1 (0.41) IDO1TDO2RPA1GAAHSD17B10
SCHEMBL23402501 0.87 DCTPP1 (0.39) GAAMAPK1HSD17B10ALDH1A1KCNJ6
SCHEMBL23399798 0.86 RPA1 (0.45) IDO1TDO2RPA1GAAALDH1A1
SCHEMBL23399305 0.85 USP2 (0.39) IDO1TDO2RPA1MAPK1HSD17B10
SCHEMBL23399819 0.84 ALDH1A1 (0.44) IDO1TDO2RPA1GAAMAPK1
SCHEMBL23401307 0.84 RPA1 (0.39) IDO1TDO2RPA1MAPK1HSD17B10
SCHEMBL23401184 0.83 ALDH1A1 (0.38) IDO1TDO2RPA1GAAMAPK1
SCHEMBL23403542 0.81 RPA1 (0.44) IDO1TDO2RPA1GAAHSD17B10

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed