SCHEMBL10735409

SCHEMBL10735409

Nc1nc(CC(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nncs4)CS[C@@H]23)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ NR1I2 O75469 2/20 0.51
▸ PGR P06401 2/20 0.51
▸ POLB P06746 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CTDSP1 Q9GZU7 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL10735401 1.00 LMNA (0.67) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL11268629 0.99 LMNA (0.66) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL10983818 0.92 TDP1 (0.57) LMNATDP1HSD17B10L3MBTL1NR1I2
SCHEMBL10983814 0.92 TDP1 (0.57) LMNATDP1HSD17B10L3MBTL1NR1I2
SCHEMBL11183173 0.89 TDP1 (0.68) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL11183181 0.89 TDP1 (0.68) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL8770984 0.89 TDP1 (0.55) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL8770998 0.89 TDP1 (0.55) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL11181090 0.87 TDP1 (0.67) LMNATDP1HSD17B10L3MBTL1SLC22A6
SCHEMBL11181096 0.87 TDP1 (0.67) LMNATDP1HSD17B10L3MBTL1SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379924-A Cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-04-12 — — US claimed
EP-0221719-A2 Novel cephalosporin derivatives, processes for their preparation and pharmaceutical compositions containing them BIOGAL GYOGYSZERGYAR (HU) 1987-05-13 — — EP disclosed
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