SCHEMBL7093339

SCHEMBL7093339

O=C(NC(CNc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GSK3B P49841 4/20 0.49
▸ ROCK1 Q13464 4/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ RPS6KA5 O75582 3/20 0.49
▸ AKT1 P31749 3/20 0.49
▸ NEK4 P51957 3/20 0.49
▸ PRKCD Q05655 3/20 0.49
▸ PRKG2 Q13237 3/20 0.49
▸ PRKG1 Q13976 3/20 0.49
▸ PKN2 Q16513 3/20 0.49
▸ GSK3A P49840 3/20 0.49
▸ MAPK13 O15264 2/20 0.49
▸ ROCK2 O75116 2/20 0.49

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
SCHEMBL9848822 0.80 ROCK2 (0.70) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL2777735 0.80 ROCK2 (0.70) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL9293287 0.80 ROCK2 (0.70) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL4660820 0.78 KDM4E (0.67) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL5642916 0.78 KDM4E (0.67) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL22995641 0.78 MEN1 (0.61) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL3717471 0.78 MEN1 (0.61) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL9848486 0.78 RPS6KA5 (0.71) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL4659439 0.78 KDM4E (0.67) KDM4EGAAMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29693063 0.78 GSK3B (0.68) KDM4EGAAMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 — — WO claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 — — WO disclosed
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