SCHEMBL23399737

SCHEMBL23399737

CCc1c(CC(C)C)nn(-c2ccc(C)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DPP4 P27487 5/20 0.33
ALDH1A1 P00352 4/20 0.33
DPP8 Q6V1X1 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MAPK14 Q16539 1/20 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
SCHEMBL23403081 0.91 KDM4E (0.38) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23400179 0.90 KMT2A (0.40) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23402203 0.89 KDM4E (0.35) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23403213 0.89 KDM4E (0.36) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23402620 0.87 ALDH1A1 (0.42) KDM4EHSD17B10USP2HPGDALDH1A1
SCHEMBL23403294 0.86 SMN1; SMN2 (0.40) KDM4ETP53SMN1; SMN2MAPTPDE4A
SCHEMBL23399259 0.85 ALDH1A1 (0.39) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23402173 0.84 KDM4E (0.39) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23401778 0.83 TP53 (0.36) KDM4EHSD17B10USP2HPGDTP53
SCHEMBL23399691 0.82 TP53 (0.40) KDM4EHSD17B10USP2TP53SMN1; SMN2

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