SCHEMBL22015243

SCHEMBL22015243

O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CN3CCN(c4cc5c(cc4F)C(=O)C(C(=O)O)CN5C4CC4)CC3)CS[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 1/20 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
CTDSP1 Q9GZU7 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 1/20 0.38
NR1I2 O75469 1/20 0.38
HPGD P15428 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
PLCG1 P19174 1/20 0.36
CA5A P35218 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
SCHEMBL22015084 0.89 TDP1 (0.54) TDP1MAPK1MAPTPOLBPKM
SCHEMBL22015083 0.89 TDP1 (0.54) TDP1MAPK1MAPTPOLBPKM
SCHEMBL22015244 0.89 MAPT (0.35) TDP1MAPK1MAPTPOLBPKM
SCHEMBL11542385 0.71 TDP1 (0.73) TDP1MAPK1MAPTPOLBPKM
SCHEMBL11793832 0.71 TDP1 (0.73) TDP1MAPK1MAPTPOLBPKM
SCHEMBL11793841 0.71 TDP1 (0.73) TDP1MAPK1MAPTPOLBPKM
SCHEMBL11542388 0.71 TDP1 (0.73) TDP1MAPK1MAPTPOLBPKM
SCHEMBL4346024 0.71 TDP1 (0.73) TDP1MAPK1MAPTPOLBPKM
SCHEMBL8192212 0.70 HPGD (0.52) TDP1MAPTCTDSP1ALDH1A1NR1I2
SCHEMBL27267549 0.70 TDP1 (0.75) TDP1MAPK1MAPTPOLBPKM

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
WO-2020099858-A1 CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-05-22 WO disclosed