SCHEMBL23403124

SCHEMBL23403124

Cc1cccc(-n2nc(C)c(O)c2-c2ccccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RPA1 P27694 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
SPR P35270 1/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RIPK2 O43353 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL23398460 0.87 RIPK2 (0.50) ALDH1A1RPA1IDO1TDO2MAPT
SCHEMBL23403129 0.86 HIF1A (0.53) ALDH1A1MAPTHIF1ALMNAMAPK1
SCHEMBL23400673 0.85 HIF1A (0.46) ALDH1A1MAPTL3MBTL1HIF1ALMNA
SCHEMBL23400946 0.84 RPA1 (0.44) ALDH1A1RPA1IDO1TDO2SPR
SCHEMBL23400852 0.84 RPA1 (0.52) ALDH1A1RPA1SPRMAPTL3MBTL1
SCHEMBL23401542 0.84 RPA1 (0.50) ALDH1A1RPA1IDO1TDO2MAPT
SCHEMBL23399444 0.84 PDE4A (0.42) ALDH1A1RPA1IDO1TDO2MAPT
SCHEMBL23402378 0.83 RPA1 (0.43) ALDH1A1RPA1IDO1TDO2MAPT
SCHEMBL23398799 0.82 ALDH1A1 (0.51) ALDH1A1RPA1SPRMAPTL3MBTL1
SCHEMBL23399724 0.81 ALDH1A1 (0.48) ALDH1A1RPA1SPRMAPTL3MBTL1

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