SCHEMBL14293124

SCHEMBL14293124

O=Nc1cc(O)ccc1-c1n[nH]c(=S)n1-c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 5/20 0.42
ALDH1A1 P00352 7/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 5/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLO1 Q04760 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8930588 0.86 KDM4E (0.56) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL12844572 0.83 ALDH1A1 (0.43) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL8930932 0.72 HSP90AA1 (0.73) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL13983414 0.72 HSP90AA1 (0.62) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL8930478 0.71 HSP90AA1 (0.76) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL8930373 0.71 HSP90AA1 (0.73) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL13983080 0.70 HSP90AA1 (0.64) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL8930945 0.70 ALDH1A1 (0.62) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL13983479 0.69 HSP90AA1 (0.60) KDM4EGAAMAPTL3MBTL1HSP90AA1
SCHEMBL8930897 0.69 HSP90AA1 (0.69) KDM4EGAAMAPTL3MBTL1HSP90AA1

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-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO disclosed