SCHEMBL4205203

SCHEMBL4205203

O=S(=O)(O)c1c(C=Cc2ccccc2)cc(Nc2nnncc2Nc2ccccc2)c(Nc2nnncc2Nc2ccccc2)c1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR4A1 P22736 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SNCA P37840 1/20 0.31
PELI1 Q96FA3 1/20 0.30
PDE5A O76074 1/20 0.30
TTR P02766 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL2974661 0.89 PDE5A (0.33) KDM4ENSD2ALDH1A1POLBGAA
SCHEMBL61639 0.78 PELI1 (0.32) PELI1SLC16A3
SCHEMBL7920796 0.70
SCHEMBL28551801 0.70 CA12 (0.40) KDM4ENSD2ALDH1A1POLBGAA
SCHEMBL11436681 0.69 PELI1 (0.38) SIRT2PELI1TTRSLC16A3
SCHEMBL6194939 0.69 HSD17B10 (0.41) KDM4EALDH1A1GAAMAPTRECQL
SCHEMBL9951598 0.68 MAPK10 (0.36) KDM4EALDH1A1POLBMAPT
SCHEMBL7632003 0.66 CA12 (0.40) KDM4ENSD2ALDH1A1POLBGAA
SCHEMBL2231709 0.66 PELI1 (0.33) KDM4EPELI1
SCHEMBL2513050 0.66 KDM4E (0.30) KDM4EALDH1A1GAA

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-20090048140-A1 Coated Imidoperoxycarbonate Acid Particle HENKEL AG & CO. KGAA (DE) 2009-02-19 US disclosed
US-20090018045-A1 Liquid Washing or Cleaning Composition Comprising Particulate Peracid Bleach HENKEL AG & CO. KGAA (DE) 2009-01-15 US disclosed