SCHEMBL5504261

SCHEMBL5504261

Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(/C=C4\CCN(Cc5cc[n+](CC(=O)Nc6ccc(O)cc6)cc5)C4=O)CS[C@H]23)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 12/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 5/20 0.35
NR1I2 O75469 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL5504271 1.00 TDP1 (0.36) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8706007 0.89 TDP1 (0.48) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8705988 0.89 TDP1 (0.48) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8705980 0.89 TDP1 (0.48) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8701454 0.85 NR1I2 (0.44) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8701461 0.85 NR1I2 (0.44) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8701470 0.85 NR1I2 (0.44) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8705020 0.85 KCNH2 (0.43) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8705837 0.85 KCNH2 (0.43) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8705024 0.85 KCNH2 (0.43) TDP1LMNAHSD17B10L3MBTL1MAPT

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