SCHEMBL5507280

SCHEMBL5507280

O=C(O)Cn1nnnc1SCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(C4CC4)C3=O)CS[C@H]12.[NaH].[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 9/20 0.40
MAPT P10636 6/20 0.40
CA5A P35218 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SLC22A6 Q4U2R8 2/20 0.39
SLC22A8 Q8TCC7 2/20 0.39
SLC22A11 Q9NSA0 2/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A4 P31645 1/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL5507292 0.99 TDP1 (0.49) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL5506559 0.91 POLB (0.48) TDP1HSD17B10KDM4EPOLBMAPT
SCHEMBL5506576 0.89 POLB (0.48) TDP1HSD17B10KDM4EPOLBMAPT
SCHEMBL5507287 0.89 TDP1 (0.40) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL5505617 0.88 ALDH1A1 (0.43) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL5505628 0.86 ALDH1A1 (0.43) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL5505618 0.85 CA5A (0.43) TDP1LMNAKMT2AHSD17B10KDM4E
SCHEMBL5505632 0.84 CA5A (0.43) TDP1LMNAKMT2AHSD17B10KDM4E
SCHEMBL5504445 0.83 CA5A (0.46) TDP1LMNAHSD17B10KDM4EPOLB
SCHEMBL5506565 0.83 TDP1 (0.47) TDP1LMNAHSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
US-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed