SCHEMBL9844477

SCHEMBL9844477

CO/N=S1/C=C(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(COC(=O)c4cn(CCF)c5c(F)c(N6CCN(C)CC6)c(F)cc5c4=O)CS[C@H]23)N=C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 6/20 0.39
MAPT P10636 8/20 0.39
NR1I2 O75469 5/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
HPGD P15428 2/20 0.39
SLC22A6 Q4U2R8 2/20 0.39
SLC22A8 Q8TCC7 2/20 0.39
SLC22A11 Q9NSA0 2/20 0.39
DNMT1 P26358 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
PTGS1 P23219 1/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
PGR P06401 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9844498 0.82 NR1I2 (0.49) KDM4ETDP1MAPTNR1I2SLC22A6
SCHEMBL9744166 0.81 L3MBTL1 (0.54) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9744184 0.81 L3MBTL1 (0.54) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9743985 0.79 NR1I2 (0.55) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9743976 0.79 NR1I2 (0.55) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9744140 0.79 KDM4E (0.56) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9744130 0.79 KDM4E (0.56) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL9744018 0.79 KDM4E (0.50) KDM4ETDP1MAPTNR1I2CTDSP1
SCHEMBL30229691 0.75 NR1I2 (0.62) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL9745004 0.75 NR1I2 (0.62) TDP1MAPTNR1I2SLC22A6SLC22A8

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-0453952-A2 A process for synthesizing cephalosporin compounds F. HOFFMANN-LA ROCHE AG (CH) 1991-10-30 EP disclosed