SCHEMBL6883808

SCHEMBL6883808

O=C(O)COc1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
CLK1 P49759 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
ESRRA P11474 1/20 0.41
AKR1B1 P15121 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
DYRK3 O43781 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 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
SCHEMBL6880000 0.89 RAB9A (0.48) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL6875823 0.85 RAB9A (0.50) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL6873646 0.83 ANO1 (0.45) KDRROCK2ROCK1ESRRAMAPT
SCHEMBL7145773 0.78 ROCK2 (0.53) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL7141146 0.77 ROCK2 (0.59) KDRROCK2ROCK1SMN1; SMN2
SCHEMBL6881417 0.76 LMNA (0.45) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL6880276 0.76 ROCK2 (0.65) ROCK2ROCK1L3MBTL1
SCHEMBL7146575 0.76 ROCK2 (0.50) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL27490613 0.76 ROCK2 (0.50) KDRROCK2ROCK1MAPTALDH1A1
SCHEMBL6883425 0.75 ROCK2 (0.45) KDRROCK2ROCK1MAPTALDH1A1

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