SCHEMBL8243919

SCHEMBL8243919

CN(C)C(=O)Sc1cc2oc(=O)c3c(c2cc1Cl)CCC(C(C)(C)C)C3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 6/20 0.39
▸ GAA P10253 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ GLA P06280 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 3/20 0.36
▸ HPGD P15428 6/20 0.35
▸ POLB P06746 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ FHIT P49789 1/20 0.34
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8244539 0.84 KDM4E (0.39) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4710605 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4712725 0.82 ALDH1A1 (0.54) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4708968 0.82 KDM4E (0.37) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4712678 0.69 LMNA (0.44) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4709192 0.65 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL13342421 0.64 MAP2K1 (0.66) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4711181 0.64 ALDH1A1 (0.55) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4711131 0.62 ALDH1A1 (0.56) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL11325519 0.62 APEX1 (0.37) ALDH1A1MAPTKMT2AMEN1LMNA

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
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 — — WO disclosed
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