SCHEMBL4726577

SCHEMBL4726577

CN(CC(=O)OC(C)(C)C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1.COCCN(CCOC)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.41
ROCK1 Q13464 9/20 0.38
ROCK2 O75116 6/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
GCK P35557 1/20 0.35
SLC2A1 P11166 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL4780102 0.92 ROCK1 (0.40) ENPP2ROCK1ROCK2MAPK1TSHR
SCHEMBL4957984 0.89 ENPP2 (0.46) ENPP2ROCK1ROCK2MAPK1TSHR
Hydrochloric Acid SCHEMBL4845630 0.88 ENPP2 (0.46) ENPP2ROCK1ROCK2MAPK1TSHR
SCHEMBL4728299 0.86 ROCK1 (0.44) ENPP2ROCK1ROCK2MAPK1TSHR
SCHEMBL4776692 0.85 ENPP2 (0.44) ENPP2ROCK1ROCK2MAPK1TSHR
SCHEMBL4725275 0.82 TSHR (0.40) ENPP2ROCK1ROCK2MAPK1TSHR
SCHEMBL4725225 0.80 SLC2A1 (0.43) ROCK1ROCK2MAPK1TSHRKDM4E
SCHEMBL4779148 0.80 MEN1 (0.45) ENPP2ROCK1ROCK2MAPK1GCK
SCHEMBL352216 0.80 ROCK1 (0.43) ENPP2ROCK1ROCK2MAPK1TSHR
Hydrochloric Acid SCHEMBL4726458 0.80 SLC2A1 (0.43) ROCK1ROCK2MAPK1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO claimed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO disclosed