SCHEMBL885407

SCHEMBL885407

O=CNCc1nsc(NC(=O)NCc2ccc(Cl)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MMP3 P08254 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK1 Q13464 4/20 0.34
PRSS12 P56730 3/20 0.34
ROCK2 O75116 3/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL353436 0.86 ALDH1A1 (0.38) ALDH1A1NPSR1PRSS12NPC1RAB9A
SCHEMBL355374 0.86 ALDH1A1 (0.37) ALDH1A1MMP3NPSR1ROCK1PRSS12
SCHEMBL885408 0.83 NPC1 (0.40) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3648973 0.80 KMT2A (0.41) ALDH1A1NPSR1ROCK1ROCK2NPC1
SCHEMBL885465 0.75 ROCK2 (0.53) ROCK1ROCK2ATG4BNPC1RAB9A
SCHEMBL353276 0.74 KMT2A (0.36) ALDH1A1NPSR1RAB9ASMN1; SMN2KDM4E
SCHEMBL353277 0.74 KMT2A (0.36) ALDH1A1NPSR1RAB9ASMN1; SMN2KDM4E
SCHEMBL354665 0.73 ALDH1A1 (0.34) ALDH1A1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL353960 0.72 HTT (0.36) ALDH1A1MMP3NPSR1ATG4BNPC1
SCHEMBL353858 0.72 HTT (0.42) ALDH1A1NPSR1RAB9ASMN1; SMN2MEN1

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