SCHEMBL6873646

SCHEMBL6873646

CCOC(=O)COC(=O)c1cc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)ccc1OCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.42
NAMPT P43490 1/20 0.42
ESRRA P11474 1/20 0.42
TP53 P04637 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 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
SCHEMBL6883808 0.83 KDR (0.48) L3MBTL1SMN1; SMN2RAB9AKDRLMNA
SCHEMBL7426305 0.83 RAB9A (0.40) ANO1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL6881417 0.82 LMNA (0.45) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL7136553 0.80 LMNA (0.50) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL6880000 0.80 RAB9A (0.48) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL7147820 0.78 LMNA (0.48) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL6881918 0.78 MAPT (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL15145661 0.78 PPID (0.60) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL7143549 0.77 LMNA (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1KDR
SCHEMBL7301734 0.76 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP claimed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US claimed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP claimed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO claimed
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed