SCHEMBL11481795

SCHEMBL11481795

CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OP(C)(C)=O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.71
▸ PGR P06401 3/20 0.71
▸ TDP1 Q9NUW8 6/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ PPARG P37231 3/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ DAO P14920 1/20 0.61
▸ SNCA P37840 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ ABCC4 O15439 1/20 0.60
▸ HTR2C P28335 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ ALB P02768 1/20 0.55
▸ APEX1 P27695 3/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL9659784 0.93 NR1I2 (0.82) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL9659776 0.93 NR1I2 (0.82) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL11473462 0.91 NR1I2 (0.85) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL9600751 0.91 NR1I2 (0.71) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL9600745 0.91 NR1I2 (0.71) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL16439002 0.88 TDP1 (0.81) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL10776108 0.87 NR1I2 (0.72) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL11463469 0.86 NR1I2 (0.86) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL11463468 0.86 NR1I2 (0.86) NR1I2PGRTDP1HSD17B10LMNA
SCHEMBL11480199 0.86 NR1I2 (0.70) NR1I2PGRTDP1HSD17B10LMNA

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-0018155-A2 Novel cephalosporin compounds, a process for the preparation thereof, pharmaceutical compositions containing the same and the use thereof as a therapeutic agent against a microorganism NOVO NORDISK A/S (DK) 1980-10-29 — — EP disclosed
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