SCHEMBL7562740

SCHEMBL7562740

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)c(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.42
GLS O94925 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL5674187 1.00 LCK (0.42) LCKGLSMEN1NPC1GAA
SCHEMBL13437814 0.84 LCK (0.39) LCKCA1CA2
SCHEMBL15991616 0.83 LCK (0.39) LCKCA1CA2
SCHEMBL9915439 0.83 LCK (0.39) LCKCA1CA2
SCHEMBL3237998 0.82
SCHEMBL2454811 0.82
SCHEMBL2454809 0.82
SCHEMBL13437782 0.80 LCK (0.39) LCKCA1CA2
SCHEMBL2877172 0.80 GAA (0.43) LCKMEN1NPC1GAARAB9A
SCHEMBL2877170 0.80 GAA (0.43) LCKMEN1NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed