SCHEMBL5507809

SCHEMBL5507809

O=C(CSc1ccc2ccccc2c1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(CC(F)(F)F)C3=O)CS[C@H]12.[Na]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CA5A P35218 1/20 0.44
NR1I2 O75469 1/20 0.41
MAPK1 P28482 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
SPOP O43791 7/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL5507796 0.99 TDP1 (0.45) TDP1MAPTPOLBPKMHTT
SCHEMBL5507800 0.93 TDP1 (0.43) TDP1MAPTPOLBPKMHTT
SCHEMBL5506499 0.89 TDP1 (0.46) TDP1MAPTPOLBPKMHTT
SCHEMBL5506492 0.89 TDP1 (0.46) TDP1MAPTPOLBPKMHTT
SCHEMBL6376169 0.86 MAPT (0.46) TDP1MAPTPOLBPKMHTT
SCHEMBL6374500 0.86 TDP1 (0.47) TDP1MAPTPOLBPKMHTT
SCHEMBL6374511 0.86 TDP1 (0.47) TDP1MAPTPOLBPKMHTT
Imidazole SCHEMBL5506168 0.85 CA5A (0.48) TDP1MAPTPOLBPKMHTT
Imidazole SCHEMBL5506170 0.85 CA5A (0.48) TDP1MAPTPOLBPKMHTT
SCHEMBL6376159 0.85 MAPT (0.46) 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 1 patent. 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