SCHEMBL5505828

SCHEMBL5505828

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SPOP O43791 6/20 0.41
MAPK1 P28482 1/20 0.41
APAF1 O14727 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
PLCG1 P19174 1/20 0.40
ABCC2 Q92887 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5505833 0.98 TDP1 (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL5505829 0.90 TDP1 (0.41) TDP1MAPTPOLBPKMHTT
SCHEMBL5501997 0.86 TDP1 (0.48) TDP1MAPTPOLBPKMHTT
SCHEMBL5502008 0.84 TDP1 (0.48) TDP1MAPTPOLBPKMHTT
SCHEMBL5506307 0.84 CA5A (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL5504445 0.84 CA5A (0.46) TDP1MAPTPOLBPKMHTT
SCHEMBL5500853 0.84 CA5A (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL5505726 0.83 CA5A (0.49) TDP1MAPTPOLBPKMHTT
SCHEMBL5506559 0.83 POLB (0.48) TDP1MAPTPOLBPKMHTT
SCHEMBL5506322 0.82 CA5A (0.49) TDP1MAPTPOLBPKMHTT

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