SCHEMBL5571787

SCHEMBL5571787

CCc1c(I)c(NC)c(I)c(NC(=O)CCC(=O)O)c1I

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 4/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CYP1A1 P04798 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCHE P06276 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL11637395 0.74 TSHR (0.53) POLBKDM4EKDM5CEGLN1PHF8
SCHEMBL11632162 0.71 LMNA (0.56) POLBKDM4EKDM5CEGLN1PHF8
SCHEMBL11630553 0.71 PHF8 (0.41) POLBKDM4EKDM5CEGLN1PHF8
SCHEMBL11632856 0.67 MAPK1 (0.46) POLBSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL30881051 0.66 MAPK1 (0.51) CYP2C19KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL7594233 0.65 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL11631680 0.65 MAPK1 (0.58) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL11632139 0.65 TSHR (0.47) POLBKDM4EKDM5CEGLN1PHF8
SCHEMBL12523228 0.62 CYP2C19 (0.60) CYP2C19POLBKDM4ESMN1; SMN2L3MBTL1
Diprotrizoate SCHEMBL1859049 0.61 LMNA (0.49) POLBKDM4ESMN1; SMN2ALDH1A1TSHR

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
EP-1830902-A2 COMBINATION COMPRISING AN AGENT PROVIDING A SIGNAL, AN IMPLANT MATERIAL AND A DRUG CINVENTION AG (DE) 2007-09-12 EP disclosed
WO-2006069677-A2 COMBINATION COMPRISING AN AGENT PROVIDING A SIGNAL, AN IMPLANT MATERIAL AND A DRUG CINVENTION AG (DE) 2006-07-06 WO disclosed