SCHEMBL28170201

SCHEMBL28170201

O=S(=O)(O)c1nc2c(ccc3c(S(=O)(=O)O)ccnc32)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.42
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.37
RCE1 Q9Y256 1/20 0.36
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPRJ Q12913 1/20 0.33
DUSP26 Q9BV47 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
IDE P14735 1/20 0.32

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
SCHEMBL9558125 0.83 KDM4E (0.47) COMTHIF1AALOX15ALDH1A1KDM4E
SCHEMBL19436388 0.80 ALDH1A1 (0.40) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL870765 0.78 TOP2A (0.40) ALDH1A1TOP2A
SCHEMBL597833 0.78 TOP2A (0.40) ALDH1A1TOP2A
SCHEMBL4991971 0.77 COMT (0.58) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL7873518 0.77 TOP2A (0.39) ALDH1A1TOP2A
SCHEMBL6037850 0.77 TOP2A (0.39) ALDH1A1TOP2A
SCHEMBL27805381 0.77 TOP2A (0.39) ALDH1A1TOP2A
SCHEMBL29026621 0.76 TOP2A (0.38) ALDH1A1TOP2A
Water SCHEMBL8819292 0.76 TOP2A (0.38) ALDH1A1TOP2A

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
CN-106994627-B Composition for polishing and its manufacturing method and magnetic grinding method 福吉米株式会社 2018-06-29 CN disclosed
CN-106994627-A Composition for polishing and its manufacture method and magnetic Ginding process 福吉米株式会社 2017-08-01 CN disclosed