SCHEMBL3653730

SCHEMBL3653730

NC(=O)Cc1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.60
ROCK1 Q13464 7/20 0.60
CSNK2A1 P68400 1/20 0.55
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE5A O76074 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MMP3 P08254 1/20 0.48
SCD O00767 1/20 0.47
NAMPT P43490 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47

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
SCHEMBL7454854 0.90 ROCK2 (0.62) ROCK2ROCK1LMNATP53ALDH1A1
SCHEMBL5879508 0.87 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL3651578 0.86 ROCK1 (0.64) ROCK2ROCK1CSNK2A1
SCHEMBL91397 0.85 ROCK2 (0.62) ROCK2ROCK1LMNATP53MMP3
SCHEMBL3653731 0.84 ROCK2 (0.61) ROCK2ROCK1MMP3
SCHEMBL3651090 0.82 ROCK1 (0.47) ROCK2ROCK1CSNK2A1
SCHEMBL6316630 0.82 ROCK2 (0.62) ROCK2ROCK1MMP3NAMPT
SCHEMBL3657747 0.82 ROCK1 (0.46) ROCK2ROCK1CSNK2A1LMNA
SCHEMBL3653728 0.81 ROCK2 (0.59) ROCK2ROCK1MMP3
SCHEMBL7144846 0.81 ROCK2 (0.58) ROCK2ROCK1PDE5AMMP3SCD

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