SCHEMBL5800639

SCHEMBL5800639

CC(=O)c1nc(-c2cccs2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 9/20 0.46
HPGD P15428 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 8/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 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
SCHEMBL11624332 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL27351137 0.86 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5801775 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11622240 0.82 TARBP2 (0.61) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL8813501 0.77 KDM4E (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11620413 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5098263 0.75 KDM4E (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6583843 0.74 POLB (0.64) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL14776632 0.74 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15007989 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A

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-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed