SCHEMBL8285763

SCHEMBL8285763

CC(C)(S)CNS(=O)(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ NAMPT P43490 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GLO1 Q04760 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL13605865 0.87 NAMPT (0.57) MAPTNAMPTNAPRTKEAP1NFE2L2
SCHEMBL21960093 0.87 ALDH1A1 (0.54) MAPTNAMPTNAPRTKEAP1NFE2L2
SCHEMBL28391735 0.81 NAMPT (0.49) MAPTNAMPTNAPRTCYP2C19ALDH1A1
SCHEMBL3447394 0.78 ALDH1A1 (0.59) MAPTNAMPTNAPRTKEAP1NFE2L2
SCHEMBL13227934 0.78 MAPT (0.49) MAPTNAMPTNAPRTKEAP1NFE2L2
SCHEMBL21960091 0.78 NAPRT (0.57) MAPTNAPRTKEAP1NFE2L2CYP2C19
SCHEMBL858995 0.77 MAPT (0.54) MAPTNAPRTKEAP1NFE2L2KMT2A
SCHEMBL21960087 0.77 NAPRT (0.52) MAPTNAPRTKEAP1NFE2L2KMT2A
SCHEMBL30530541 0.77 MAPT (0.54) MAPTNAPRTKEAP1NFE2L2KMT2A
SCHEMBL16831885 0.76 SMN1; SMN2 (0.61) MAPTNAMPTNAPRTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298356-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2011-03-23 — — EP disclosed
EP-2258400-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2010-12-08 — — EP disclosed
EP-2258399-A2 Multivalent VLA-4 antagonists comprising polymer moieties Elan Pharmaceuticals Inc. (US) 2010-12-08 — — EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 — — WO disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 — — WO disclosed
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