SCHEMBL3653731

SCHEMBL3653731

CNCc1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.61
ROCK1 Q13464 13/20 0.61
MMP3 P08254 1/20 0.49
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49

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
SCHEMBL91397 0.88 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL353725 0.86 ROCK1 (0.66) ROCK2ROCK1
SCHEMBL7454854 0.86 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL5879508 0.86 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL19119361 0.85 ROCK1 (0.47) ROCK2ROCK1
SCHEMBL3653728 0.85 ROCK2 (0.59) ROCK2ROCK1MMP3ITGB3ITGAV
SCHEMBL3653730 0.84 ROCK2 (0.60) ROCK2ROCK1MMP3
SCHEMBL2066287 0.82 ROCK1 (0.61) ROCK2ROCK1
SCHEMBL353214 0.82 ROCK1 (0.48) ROCK2ROCK1
SCHEMBL2068257 0.81 ROCK1 (0.47) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed