SCHEMBL5501595

SCHEMBL5501595

O=C(C[n+]1ccc(CN2CCC(=CC3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)CSc5ccccc5)[C@H]4SC3)C2=O)cc1)Nc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 2/20 0.40
CYP2D6 P10635 1/20 0.40
CA5A P35218 1/20 0.38
NR1I2 O75469 2/20 0.37
PTPN11 Q06124 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL5501582 1.00 TDP1 (0.40) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5507511 0.94 TDP1 (0.48) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5507497 0.94 TDP1 (0.48) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5506800 0.92 TDP1 (0.37) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5504896 0.92 TDP1 (0.37) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5500713 0.91 TDP1 (0.36) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5500708 0.91 TDP1 (0.36) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5505647 0.91 TDP1 (0.38) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5505652 0.91 TDP1 (0.38) TDP1MAPTLMNAKDM4EPOLB
SCHEMBL5504863 0.90 CCR3 (0.40) TDP1MAPTLMNAKDM4EPOLB

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-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP claimed
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 claimed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP claimed
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