SCHEMBL6263855

SCHEMBL6263855

CCCCC(C)Nc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL3683020 0.86 KDM4E (0.45) KDM4ETDP1HSD17B10ALDH1A1TP53
SCHEMBL4300524 0.85 KDM4E (0.47) KDM4ETDP1HSD17B10ALDH1A1TP53
SCHEMBL8755820 0.85 KDM4E (0.47) KDM4ETDP1HSD17B10ALDH1A1TP53
SCHEMBL4300271 0.84 KDM4E (0.39) KDM4ETDP1HSD17B10ALDH1A1TP53
SCHEMBL17142190 0.81 KDM4E (0.37) KDM4ETDP1HSD17B10BRD4CHEK1
SCHEMBL17142241 0.78 KDM4E (0.38) KDM4ETDP1HSD17B10BRD4CHEK1
SCHEMBL2722703 0.76 ALDH1A1 (0.60) KDM4ETDP1HSD17B10ALDH1A1TP53
SCHEMBL17142230 0.75 KDM4E (0.43) KDM4ETDP1HSD17B10PIK3CDDAO
SCHEMBL11345753 0.72 ALDH1A1 (0.42) TDP1HSD17B10ALDH1A1TP53HSP90AA1
SCHEMBL11442419 0.70 ALDH1A1 (0.58) KDM4ETDP1HSD17B10ALDH1A1TP53

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
EP-1588165-A2 VITAMIN D ASSAY Diasorin Inc. (US) 2005-10-26 — — EP disclosed
WO-2004063704-A2 VITAMIN D ASSAY DIASORIN INC. (US) 2004-07-29 — — WO disclosed
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