SCHEMBL4684441

SCHEMBL4684441

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)cc4)ns3)CC2)cc1.Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD11B1 P28845 9/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2003858 0.88 ALDH1A1 (0.58) ALDH1A1GAAALOX15TSHRMAPK1
SCHEMBL2009408 0.86 HSD11B1 (0.59) ALDH1A1HSD11B1MEN1KMT2ATDP1
SCHEMBL2006926 0.85 HSD11B1 (0.58) ALDH1A1HSD11B1MEN1KMT2ATDP1
SCHEMBL2006592 0.83 MEN1 (0.47) ALDH1A1HSD11B1MEN1KMT2AGAA
SCHEMBL2007289 0.83 MEN1 (0.47) ALDH1A1HSD11B1MEN1KMT2AGAA
SCHEMBL4688564 0.79 PKM (0.54) ALDH1A1HSD11B1MEN1KMT2AGAA
SCHEMBL3144170 0.78 ALDH1A1 (0.43) ALDH1A1HSD11B1GAAALOX15MAPT
SCHEMBL13270639 0.77 KMT2A (0.48) ALDH1A1HSD11B1MEN1KMT2ATDP1
SCHEMBL2012534 0.77 HSD11B1 (0.59) ALDH1A1HSD11B1MEN1KMT2ATDP1
SCHEMBL3139507 0.77 CHRM4 (0.47) ALDH1A1HSD11B1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO claimed