SCHEMBL11046775

SCHEMBL11046775

NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CS[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 0.54
HSD17B10 Q99714 5/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
SLC6A4 P31645 1/20 0.51
NR1I2 O75469 2/20 0.50
PGR P06401 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
SLC22A8 Q8TCC7 2/20 0.50
SLC22A11 Q9NSA0 2/20 0.50
PPARG P37231 1/20 0.50
POLB P06746 10/20 0.49
MAPT P10636 9/20 0.49
ALDH1A1 P00352 5/20 0.49
CTDSP1 Q9GZU7 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11046776 1.00 TDP1 (0.54) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL11113124 0.92 TDP1 (0.55) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL11008368 0.92 TDP1 (0.54) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL11008363 0.92 TDP1 (0.54) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL11113127 0.92 TDP1 (0.55) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL11358684 0.92 TDP1 (0.52) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL14304225 0.91 TDP1 (0.63) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL10981094 0.91 TDP1 (0.63) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL10981088 0.91 TDP1 (0.63) TDP1HSD17B10LMNAKDM4EMEN1
SCHEMBL9197195 0.91 TDP1 (0.63) TDP1HSD17B10LMNAKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
US-4366153-A CEPHALOSPORINS; ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-28 US disclosed
US-4341775-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 US disclosed
US-4220761-A 7-[Substituted oximinoacetamido]-3-[hydroxy alkyltetrazolo]cephalosporin derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 US disclosed