SCHEMBL23399641

SCHEMBL23399641

CCc1c(O)nn(-c2cccc(C)c2)c1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 4/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TP53 P04637 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36

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
SCHEMBL23402351 0.90 USP2 (0.39) RPA1IDO1TDO2ALDH1A1LMNA
SCHEMBL23402517 0.89 RPA1 (0.39) RPA1IDO1TDO2ALDH1A1LMNA
SCHEMBL23399201 0.88 LMNA (0.47) ALDH1A1LMNATSHRMAPTL3MBTL1
SCHEMBL23400691 0.87 IDO1 (0.41) RPA1IDO1TDO2ALDH1A1LMNA
SCHEMBL23401112 0.86 LMNA (0.39) ALDH1A1LMNATSHRMAPTMAPK14
SCHEMBL23402150 0.85 RPA1 (0.48) RPA1ALDH1A1MAPTMAPK13MAPK12
SCHEMBL23400946 0.84 RPA1 (0.44) RPA1IDO1TDO2ALDH1A1LMNA
SCHEMBL23399444 0.84 PDE4A (0.42) RPA1IDO1TDO2ALDH1A1LMNA
SCHEMBL23401010 0.83 ALDH1A1 (0.47) RPA1ALDH1A1LMNAMAPTMAPK13
SCHEMBL23401355 0.82 ALDH1A1 (0.40) RPA1ALDH1A1LMNATSHRMAPT

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