SCHEMBL8216288

SCHEMBL8216288

CC(=O)Oc1cc(OCc2ccccc2)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 4/20 0.47
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2011849 0.87 MEN1 (0.65) MEN1KMT2AMAOBALOX5PTGS1
SCHEMBL8896850 0.82 MEN1 (0.58) MEN1KMT2AMAOBALOX5PTGS1
SCHEMBL6195527 0.82 MAOB (0.59) MEN1KMT2AMAOBPTPN1ALDH1A1
SCHEMBL2572210 0.81 MEN1 (0.79) MEN1KMT2AMAOBALDH1A1SMN1; SMN2
SCHEMBL8209102 0.81 MEN1 (0.56) MEN1KMT2AMAOBALOX5PTGS1
SCHEMBL27684205 0.81 MEN1 (0.56) MEN1KMT2AMAOBPTPN1ALDH1A1
SCHEMBL8896523 0.81 MEN1 (0.50) MEN1KMT2AMAOBALOX5PTGS1
SCHEMBL1179516 0.79 PGR (0.52) MEN1KMT2AALOX5CA12CA1
SCHEMBL5746820 0.79 MAOB (0.68) MEN1KMT2AMAOBPTPN1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8898012 0.79 MEN1 (0.48) MEN1KMT2AMAOBPTPN1ALDH1A1

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
US-6080587-A RATIONALLY DESIGNED LIBRARIES OF STRUCTURALLY-DIVERSE LOW MOLECULAR WEIGHT COMPOUNDS ELI LILLY AND COMPANY (US) 2000-06-27 US disclosed