SCHEMBL3657747

SCHEMBL3657747

NC(=O)Cc1csc(NC(=O)NCc2csc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.46
CSNK2A1 P68400 1/20 0.44
ROCK2 O75116 10/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2068257 0.85 ROCK1 (0.47) ROCK1ROCK2LMNASMN1; SMN2
SCHEMBL3651090 0.84 ROCK1 (0.47) ROCK1CSNK2A1ROCK2RAB9A
SCHEMBL3657740 0.83 ROCK1 (0.45) ROCK1ROCK2LMNASMN1; SMN2
SCHEMBL3653730 0.82 ROCK2 (0.60) ROCK1CSNK2A1ROCK2LMNA
SCHEMBL3648974 0.81 MEN1 (0.46) ROCK1CSNK2A1ROCK2LMNARAB9A
SCHEMBL3651578 0.79 ROCK1 (0.64) ROCK1CSNK2A1ROCK2RAB9A
SCHEMBL4781259 0.74 SCD (0.53) ROCK1CSNK2A1ROCK2LMNARAB9A
SCHEMBL3653464 0.74 CSNK2A1 (0.43) ROCK1CSNK2A1ROCK2LMNARAB9A
SCHEMBL352380 0.73 ROCK1 (0.39) ROCK1ROCK2LMNARAB9A
SCHEMBL354220 0.73 ROCK1 (0.38) ROCK1ROCK2LMNAMAPTSMN1; SMN2

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