SCHEMBL3372210

SCHEMBL3372210

Cc1ncsc1C(=O)NBr

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
STAT1 P42224 1/20 0.47
KMT2A Q03164 1/20 0.47
PREP P48147 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
CRACR2A Q9BSW2 7/20 0.39
PIK3CD O00329 1/20 0.38
VHL P40337 1/20 0.36

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
SCHEMBL31391808 0.82 KDM4E (0.62) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL1881319 0.81 KDM4E (0.60) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL21101550 0.78 PKM (0.56) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL5277365 0.78 PKM (0.56) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL8682418 0.77 PKM (0.72) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL192563 0.75
SCHEMBL7962955 0.75
SCHEMBL5725392 0.75
SCHEMBL255470 0.74 PKM (0.62) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL1964733 0.74 NAMPT (0.72) PKMKDM4ENAMPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed