SCHEMBL8932705

SCHEMBL8932705

COC(=O)c1cc2cc(S(=O)(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.64
BCAT1 P54687 3/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
FLT3 P36888 1/20 0.47
NAMPT P43490 2/20 0.47
LGALS8 O00214 1/20 0.47
LGALS3 P17931 1/20 0.47
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL2576116 0.83 XDH (0.56) XDHBCAT1CYP2C9MMP2MMP13
SCHEMBL21770540 0.78 KDM4E (0.67) XDHPDGFRBPDGFRAFLT3KDM4E
SCHEMBL29493369 0.77 KDM4E (0.69) XDHPDGFRBPDGFRAFLT3KDM4E
SCHEMBL519591 0.77 KDM4E (0.69) XDHPDGFRBPDGFRAFLT3KDM4E
SCHEMBL1104006 0.76 PDGFRB (0.77) XDHKMT2AMEN1CYP1A2CYP3A4
SCHEMBL31361409 0.76 PDGFRB (0.77) XDHKMT2AMEN1CYP1A2CYP3A4
SCHEMBL213638 0.75 XDH (0.63) XDHBCAT1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL5159238 0.75 KDM4E (0.67) XDHPDGFRBPDGFRAFLT3KDM4E
Hydrochloric Acid SCHEMBL4591208 0.75 KDM4E (0.67) XDHPDGFRBPDGFRAFLT3KDM4E
SCHEMBL18814268 0.75 HRH3 (0.72) XDHKMT2AMEN1CYP1A2CYP3A4

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-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed