SCHEMBL9571593

SCHEMBL9571593

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 0.48
▸ ALB P02768 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PGR P06401 3/20 0.46
▸ DAO P14920 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ ABCC4 O15439 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TDP1 Q9NUW8 5/20 0.43
▸ APEX1 P27695 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL9571585 1.00 NR1I2 (0.50) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9571502 0.93 NR1I2 (0.42) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9571518 0.93 NR1I2 (0.42) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8776268 0.92 NR1I2 (0.43) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8776265 0.92 NR1I2 (0.43) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9571637 0.88 TDP1 (0.43) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9571647 0.88 TDP1 (0.43) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8776284 0.88 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8776274 0.88 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8754782 0.86 NR1I2 (0.52) NR1I2HTR2CMAPTPPARGSLC22A6

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-0527686-A1 New cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1993-02-17 — — EP disclosed
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