SCHEMBL6875823

SCHEMBL6875823

O=C(O)COc1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
ROCK2 O75116 3/20 0.50
ROCK1 Q13464 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KDR P35968 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RORC P51449 1/20 0.46
GAA P10253 1/20 0.45
CA2 P00918 1/20 0.45
NAMPT P43490 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6883808 0.85 KDR (0.48) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL7145773 0.85 ROCK2 (0.53) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL6880000 0.84 RAB9A (0.48) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL7146575 0.82 ROCK2 (0.50) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL27490613 0.82 ROCK2 (0.50) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL6873146 0.82 RAB9A (0.48) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL7141146 0.82 ROCK2 (0.59) ROCK2ROCK1KDRSMN1; SMN2
SCHEMBL6873139 0.81 ROCK2 (0.49) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL7142296 0.80 ROCK2 (0.48) RAB9AALDH1A1LMNAKMT2AROCK2
SCHEMBL6875283 0.80 MAPT (0.44) RAB9AALDH1A1LMNAKMT2AMAPT

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