SCHEMBL9021047

SCHEMBL9021047

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C[C@H]1CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)COc3ccccc3)[C@@H]2SC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CTDSP1 Q9GZU7 2/20 0.46
TDP1 Q9NUW8 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 4/20 0.38
NR1I2 O75469 1/20 0.38
DNMT1 P26358 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
TOP1 P11387 4/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 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
Water SCHEMBL9397892 0.86 KDM4E (0.48) L3MBTL1KDM4ECTDSP1TDP1HPGD
Iodide SCHEMBL9397810 0.86 KDM4E (0.48) L3MBTL1KDM4ECTDSP1TDP1HPGD
Iodide SCHEMBL9020946 0.86 KDM4E (0.48) L3MBTL1KDM4ECTDSP1TDP1HPGD
SCHEMBL9744166 0.85 L3MBTL1 (0.54) L3MBTL1KDM4ECTDSP1TDP1HPGD
SCHEMBL9744184 0.85 L3MBTL1 (0.54) L3MBTL1KDM4ECTDSP1TDP1HPGD
SCHEMBL9021051 0.79 KDM4E (0.46) L3MBTL1KDM4ECTDSP1TDP1HPGD
Iodide SCHEMBL9020951 0.79 KDM4E (0.45) L3MBTL1KDM4ECTDSP1TDP1HPGD
SCHEMBL9743994 0.76 L3MBTL1 (0.54) L3MBTL1KDM4ECTDSP1TDP1HPGD
SCHEMBL9022337 0.74 L3MBTL1 (0.53) L3MBTL1KDM4ETDP1HPGDALDH1A1
SCHEMBL9743976 0.73 NR1I2 (0.55) L3MBTL1KDM4ECTDSP1TDP1HPGD

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-0335297-B1 Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1996-03-13 EP claimed