SCHEMBL5801775

SCHEMBL5801775

Cc1oc(-c2cccs2)nc1C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 6/20 0.44
MAPT P10636 7/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PPARA Q07869 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 4/20 0.41
F2 P00734 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5800639 0.83 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL11624332 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL11622240 0.80 TARBP2 (0.61) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL27351137 0.79 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL3093844 0.77 TARBP2 (0.60) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5098263 0.74 KDM4E (0.63) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL7724076 0.73 KDM4E (0.51) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14776632 0.73 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL8813501 0.73 KDM4E (0.50) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13740045 0.72 TARBP2 (0.65) ALDH1A1KDM4EHSD17B10MAPTLMNA

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