SCHEMBL6880000

SCHEMBL6880000

COc1cc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)ccc1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
NAMPT P43490 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDR P35968 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
UBE2N P61088 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL6883808 0.89 KDR (0.48) RAB9ASMN1; SMN2ROCK2ROCK1L3MBTL1
SCHEMBL6883425 0.85 ROCK2 (0.45) RAB9AKDM4ENPC1SMN1; SMN2ROCK2
SCHEMBL6875823 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL6873646 0.80 ANO1 (0.45) RAB9AKDM4ENPC1SMN1; SMN2ROCK2
SCHEMBL7145773 0.77 ROCK2 (0.53) RAB9ANPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL7141146 0.77 ROCK2 (0.59) SMN1; SMN2ROCK2ROCK1KDR
SCHEMBL7146575 0.75 ROCK2 (0.50) RAB9ANPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL27490613 0.75 ROCK2 (0.50) RAB9ANPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL7140545 0.75 KDR (0.53) RAB9AKDM4ENPC1SMN1; SMN2ROCK2
SCHEMBL18595010 0.74 ROCK2 (0.59) RAB9ANPC1SMN1; SMN2ROCK2ROCK1

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