SCHEMBL4599441

SCHEMBL4599441

CS(=O)(=O)COc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
SOD1 P00441 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 2/20 0.42

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
SCHEMBL16654605 0.84 MAOB (0.50) MAOBALDH1A1KDM4ELMNASOD1
SCHEMBL16013810 0.81 HSD17B10 (0.48) MAOBALDH1A1KDM4ELMNASOD1
SCHEMBL1128564 0.79 MAOB (0.45) MAOBALDH1A1KMT2AMRGPRX4MAOA
SCHEMBL237041 0.78 KDM4E (0.51) MAOBALDH1A1KDM4ELMNASOD1
SCHEMBL1604166 0.77 KCNA3 (0.46) ALDH1A1LMNAKMT2ARAB9AHTT
SCHEMBL17287517 0.76 CA1 (0.45) MAOBALDH1A1KDM4ELMNAMAPT
SCHEMBL1203917 0.75 MAOB (0.60) MAOBALDH1A1KDM4ELMNASOD1
SCHEMBL13883739 0.74 MAOB (0.64) MAOBALDH1A1KDM4ELMNASOD1
SCHEMBL17686087 0.74 CHRNB2 (0.43)
SCHEMBL7426703 0.73 KDM4E (0.43) MAOBALDH1A1KDM4ESOD1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
EP-1713820-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005073244-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed