SCHEMBL7051313

SCHEMBL7051313

O=S(=O)(N(Cl)Cl)N(SCF)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 4/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 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
SCHEMBL2044760 0.83 TSHR (0.42) CA12CA2CA9KMT2ATSHR
SCHEMBL10519879 0.76 TSHR (0.34) CA12CA2CA9HSP90AA1KMT2A
SCHEMBL12253593 0.72 CA12 (0.33) CA12CA2CA9HSP90AA1KMT2A
SCHEMBL8338196 0.69 CA12 (0.41) CA12CA2CA9KMT2ATSHR
SCHEMBL11017059 0.68 CA12 (0.37) CA12CA2CA9TSHRALDH1A1
SCHEMBL6376656 0.68 MAPT (0.40) CA12CA9KMT2ATSHRMAPK1
SCHEMBL29038627 0.66 TDP1 (0.41) CA12CA2CA9HSP90AA1TSHR
SCHEMBL28123243 0.65 PSIP1 (0.38) CA12CA2CA9TSHRHTT
SCHEMBL25238002 0.63 APOBEC3G (0.42) CA12CA9KMT2ATSHRMAPK1
SCHEMBL29047222 0.63 MAPT (0.38) KMT2ATSHRALDH1A1NPSR1SMN1; SMN2

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
EP-2551403-A1 DEODORANT FIBER STRUCTURE Toray Industries, Inc. (JP) 2013-01-30 EP disclosed
EP-0834253-B1 Antimicrobial composition SUGANUMA AKIO (JP) 2003-05-07 EP disclosed