SCHEMBL6882576

SCHEMBL6882576

O=C(O)/C=C/c1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.50
ROCK1 Q13464 7/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KDR P35968 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
NAMPT P43490 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL6882586 1.00 ROCK2 (0.50) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL6881918 0.88 MAPT (0.47) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL6881923 0.83 ROCK2 (0.47) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL7145773 0.82 ROCK2 (0.53) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL6875823 0.80 RAB9A (0.50) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL27490613 0.80 ROCK2 (0.50) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL7146575 0.80 ROCK2 (0.50) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL6873139 0.79 ROCK2 (0.49) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL7136553 0.79 LMNA (0.50) ROCK2ROCK1L3MBTL1RAB9AALDH1A1
SCHEMBL7142296 0.78 ROCK2 (0.48) ROCK2ROCK1L3MBTL1RAB9AALDH1A1

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