SCHEMBL23402802

SCHEMBL23402802

CCCCc1nn(-c2ccccc2C)c(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSD11B1 P28845 1/20 0.33
DHODH Q02127 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL23398434 0.93 MAPK14 (0.37) POLBL3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23398423 0.88 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23402340 0.85 PDE4A (0.37) POLBL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23403085 0.84 POLB (0.42) POLBL3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23402135 0.84 ALDH1A1 (0.35) POLBL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23401264 0.83 POLB (0.37) POLBL3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23403073 0.83 DHODH (0.35) POLBL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23402771 0.83 ALDH1A1 (0.35) POLBL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23401007 0.82 PDE4D (0.41) L3MBTL1ALDH1A1KDM4ELMNAMAPK1
SCHEMBL23402728 0.81 POLB (0.38) POLBL3MBTL1ALDH1A1KDM4ELMNA

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