SCHEMBL6588546

SCHEMBL6588546

CCn1cc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
MDM2 Q00987 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
NR4A2 P43354 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL23148487 0.76 MAPT (0.61) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL5189520 0.71 SMN1; SMN2 (0.59) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL28051137 0.71 HTT (0.61) HTTSMN1; SMN2PKMLMNAMAPT
SCHEMBL6340701 0.70 SMN1; SMN2 (0.49) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL6340645 0.70 TUBB4A (0.56) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL6073370 0.70 CA12 (0.59) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL16862848 0.70 RORC (0.82) HTTSMN1; SMN2PKMLMNAMAPT
SCHEMBL12614628 0.70 NR4A2 (0.55) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL6343982 0.68 SMN1; SMN2 (0.60) HTTSMN1; SMN2PKMLMNAMAPK1
SCHEMBL6342356 0.68 HTT (0.46) HTTSMN1; SMN2PKMLMNAMAPK1

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
EP-1181269-B1 CELL PROLIFERATION INHIBITORS ABBOTT LAB (US) 2004-02-25 EP claimed