SCHEMBL7601861

SCHEMBL7601861

CC(C)c1cccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c(NS(=O)(=O)c3ccc(Cl)s3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKBIA P25963 2/20 0.46
RELA Q04206 2/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
PGAM1 P18669 1/20 0.44
MCOLN3 Q8TDD5 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.40
RECQL P46063 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7567292 0.88 HSPD1 (0.51) SMN1; SMN2ALDH1A1PTGES2MEN1KMT2A
SCHEMBL7584723 0.86 PTPN2 (0.41) SMN1; SMN2ALDH1A1PTGES2
SCHEMBL7593138 0.84 PTGES2 (0.56) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7567353 0.77 PTGES2 (0.50) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7588412 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PTGES2MEN1KMT2A
SCHEMBL7567304 0.76 PGAM1 (0.48) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7574296 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7567408 0.75 ACLY (0.50) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7578661 0.74 CCR2 (0.56) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2
SCHEMBL7566450 0.74 PGAM1 (0.51) SMN1; SMN2ALDH1A1NFKBIARELAPTGES2

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-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed