SCHEMBL7523945

SCHEMBL7523945

Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1.O=S(=O)(Cl)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.46
RAPGEF4 Q8WZA2 5/20 0.45
PKM P14618 2/20 0.44
PKLR P30613 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
Toluene SCHEMBL14976648 0.83 LMNA (0.52) L3MBTL1LMNAPKMPKLRMEN1
SCHEMBL25642 0.83 LMNA (0.63) L3MBTL1LMNAPKMMEN1KMT2A
SCHEMBL29391838 0.83 LMNA (0.63) L3MBTL1LMNAPKMMEN1KMT2A
Hydrochloric Acid SCHEMBL7566123 0.81 LMNA (0.61) L3MBTL1LMNAPKMMEN1KMT2A
SCHEMBL27629181 0.81 LMNA (0.61) L3MBTL1LMNAPKMMEN1KMT2A
SCHEMBL4013923 0.80 RAPGEF4 (0.63) L3MBTL1RAPGEF4MEN1KMT2AHTT
SCHEMBL1149006 0.77 LMNA (0.55) L3MBTL1LMNAPKMMEN1KMT2A
SCHEMBL7608 0.77 CA1 (0.52) RAPGEF4MEN1KMT2ANR3C1PGR
SCHEMBL1019043 0.76 FABP4 (0.46) L3MBTL1LMNAPKMMEN1KMT2A
SCHEMBL7013575 0.76 CYP2A6 (0.54) L3MBTL1LMNAPKMHTTSMN1; 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-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed