SCHEMBL13848367

SCHEMBL13848367

COc1cc(OC)c(C(C)C)cc1-c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AGTR1 P30556 1/20 0.50
PGAM1 P18669 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
HTR6 P50406 1/20 0.47
GHSR Q92847 1/20 0.46
CYP17A1 P05093 1/20 0.46
LMNA P02545 1/20 0.45
GLO1 Q04760 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PLAU P00749 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13848365 0.88 ALDH1A1 (0.61) MEN1KMT2AMAPTHTTPGAM1
SCHEMBL13848441 0.87 STAT3 (0.57) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL13848266 0.82 L3MBTL1 (0.54) MEN1KMT2ASMN1; SMN2PGAM1CYP17A1
SCHEMBL13848258 0.81 PGAM1 (0.56) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1035847 0.79 MEN1 (1.00) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL13848445 0.77 MRGPRX1 (0.43) PGAM1HTR6CYP17A1
SCHEMBL13848277 0.77 PARP14 (0.46) MAPTPGAM1CYP17A1LMNAHSD17B10
SCHEMBL13848473 0.76 ALDH1A1 (0.54) MEN1KMT2AMAPTHTTCYP17A1
SCHEMBL12878224 0.74 MEN1 (0.74) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL13848448 0.74 ALDH1A1 (0.48) MEN1KMT2AMAPTHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed