SCHEMBL752244

SCHEMBL752244

Cc1ccc(CC(I)(I)S(=O)(=O)C(I)(I)Cc2ccc(C)c(C)c2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 4/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
SKP2 Q13309 1/20 0.33
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
NQO1 P15559 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL755591 0.79 TDP1 (0.38) LMNATDP1ALDH1A1FFAR4CA12
SCHEMBL755099 0.71 SLC6A2 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL753608 0.71 IDO1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL394775 0.71 LMNA (0.41) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL754030 0.70 APLNR (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL750559 0.70 SMN1; SMN2 (0.42) LMNAALDH1A1CA12CA1CA2
SCHEMBL21391752 0.70 LMNA (0.43) LMNATDP1ALDH1A1FFAR4CA12
SCHEMBL28440687 0.70 ALDH1A1 (0.41) LMNAALDH1A1HTTNPC1RAB9A
SCHEMBL10629149 0.70 ALDH1A1 (0.41) LMNAALDH1A1HTTNPC1RAB9A
SCHEMBL14410521 0.68 LMNA (0.42) LMNATDP1ALDH1A1CA12CA1

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-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP claimed