SCHEMBL13812800

SCHEMBL13812800

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Cl)ccc2NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ GRM5 P41594 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ KCNK3 O14649 2/20 0.45
▸ KCNK9 Q9NPC2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL13812763 0.89 GRM5 (0.53) KDM4EGAAALDH1A1SGMS2GRM5
SCHEMBL13812931 0.88 ALDH1A1 (0.49) KDM4EGAAMAPK1ALDH1A1SGMS2
SCHEMBL13812801 0.87 GRM5 (0.48) KDM4EGAASGMS2SMN1; SMN2GRM5
SCHEMBL13812584 0.87 MEN1 (0.53) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL13812798 0.84 G6PD (0.48) ALDH1A1SGMS2SMN1; SMN2GRM5MAPT
SCHEMBL13812560 0.83 P2RX1 (0.56) KDM4EGAASGMS2GRM5MAPT
SCHEMBL13812737 0.82 RAB9A (0.66) ALDH1A1GRM5MAPTKCNK3KCNK9
SCHEMBL13812742 0.81 KCNK3 (0.56) KDM4EMAPK1SMN1; SMN2MAPTHPGD
SCHEMBL13812948 0.81 FADS1 (0.50) KDM4EGAASGMS2GRM5MAPT
SCHEMBL13812765 0.80 KCNK3 (0.55) KDM4EMAPK1SMN1; SMN2MAPTHPGD

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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