SCHEMBL11472489

SCHEMBL11472489

CSCC1=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 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.69
▸ HTR2C P28335 1/20 0.69
▸ PPARG P37231 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ SLC22A6 Q4U2R8 2/20 0.66
▸ SLC22A8 Q8TCC7 2/20 0.66
▸ SLC22A11 Q9NSA0 2/20 0.66
▸ ALB P02768 1/20 0.66
▸ PGR P06401 3/20 0.65
▸ KMT2A Q03164 1/20 0.64
▸ DAO P14920 1/20 0.64
▸ SNCA P37840 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ ABCC4 O15439 3/20 0.63
▸ TDP1 Q9NUW8 6/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TSHR P16473 1/20 0.59

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
SCHEMBL11472490 1.00 NR1I2 (0.69) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8869035 0.91 NR1I2 (0.83) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8869018 0.91 NR1I2 (0.83) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL13900618 0.91 NR1I2 (0.83) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8867830 0.90 TDP1 (0.73) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8867820 0.90 TDP1 (0.73) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11391493 0.90 TDP1 (0.73) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11478735 0.89 NR1I2 (0.74) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11473296 0.89 NR1I2 (0.84) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11478765 0.89 NR1I2 (0.74) NR1I2HTR2CPPARGMAPTSLC22A6

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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