SCHEMBL3983718

SCHEMBL3983718

COc1ccc(S(=O)(=O)N(C(C)Cl)C(C)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.52
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 2/20 0.46
PGR P06401 1/20 0.45
MMP13 P45452 5/20 0.45
MMP1 P03956 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 3/20 0.44
GAA P10253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.43
PKLR P30613 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL14350865 0.82 PKM (0.52) PKMALDH1A1USP2KEAP1NFE2L2
SCHEMBL6487444 0.79 AGER (0.52) KEAP1NFE2L2GAACA1CA2
SCHEMBL5622693 0.75 ESR1 (0.54) PKMALDH1A1USP2KEAP1NFE2L2
SCHEMBL691734 0.75 ALDH1A1 (0.73) PKMALDH1A1KEAP1NFE2L2PGR
SCHEMBL10449139 0.72 PKM (0.57) PKMALDH1A1KEAP1NFE2L2PGR
SCHEMBL4195254 0.71 PKM (0.61) PKMALDH1A1MMP13MMP1MMP2
SCHEMBL10872609 0.70 PKM (0.55) PKMALDH1A1KEAP1NFE2L2PGR
SCHEMBL4204765 0.70 LMNA (0.76) PKMALDH1A1KEAP1MMP13MMP1
SCHEMBL5622356 0.70 PGR (0.79) PKMALDH1A1KEAP1NFE2L2PGR
SCHEMBL3615482 0.70 BMP1 (0.55) PKMKEAP1MMP13MMP1MMP8

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-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO disclosed