SCHEMBL13983151

SCHEMBL13983151

Cc1cc(O)ccc1-c1n[nH]c(=S)n1-c1cccc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.59
ALDH1A1 P00352 9/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 4/20 0.50
HSP90AA1 P07900 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AB1 P08238 1/20 0.46
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
PLK1 P53350 1/20 0.46
ALOX12 P18054 1/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.45
GLO1 Q04760 1/20 0.44

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
SCHEMBL8930527 0.93 HSP90AA1 (0.59) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983414 0.90 HSP90AA1 (0.62) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983483 0.88 KDM4E (0.48) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983103 0.86 ALDH1A1 (0.48) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983088 0.84 HSP90AA1 (0.53) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983420 0.84 HSP90AA1 (0.64) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983479 0.84 HSP90AA1 (0.60) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL10344967 0.83 KDM4E (0.44) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL13983080 0.83 HSP90AA1 (0.64) TDP1ALDH1A1HTTKDM4EHSP90AA1
SCHEMBL8930932 0.82 HSP90AA1 (0.73) TDP1ALDH1A1HTTKDM4EHSP90AA1

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
WO-2008153730-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET SYNTA PHARMACEUTICALS CORP. (US) 2008-12-18 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed