SCHEMBL7776518

SCHEMBL7776518

O=C(CCc1ccccc1)Nc1ccccn1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.83
ALDH1A1 P00352 2/20 0.83
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
POLB P06746 1/20 0.61

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
SCHEMBL13676198 0.84 GAA (0.61) GAAALDH1A1LMNATSHRL3MBTL1
SCHEMBL7415340 0.84 GAA (0.61) GAAALDH1A1LMNATSHRL3MBTL1
SCHEMBL4908980 0.83 KMT2A (0.82) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL6307544 0.83 GAA (0.71) GAAALDH1A1TSHRHDAC3HDAC4
SCHEMBL6801032 0.83 GAA (0.71) GAAALDH1A1TSHRHDAC3HDAC4
SCHEMBL18766767 0.83 LMNA (0.60) GAAALDH1A1LMNATSHRL3MBTL1
SCHEMBL15672954 0.81 GAA (0.73) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13149787 0.81 GAA (0.73) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3491650 0.81 RAB9A (0.61) GAAALDH1A1LMNATSHRL3MBTL1
SCHEMBL31240652 0.81 LMNA (0.65) GAAALDH1A1LMNATSHRL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO claimed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO disclosed