SCHEMBL4688564

SCHEMBL4688564

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL2006521 0.94 PKM (0.49) PKMLMNAHTTSMN1; SMN2TSHR
SCHEMBL2007303 0.94 PKM (0.57) PKMLMNAHTTSMN1; SMN2TSHR
SCHEMBL2007289 0.92 MEN1 (0.47) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL2006592 0.92 MEN1 (0.47) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL3058037 0.83 MAPT (0.46) PKMLMNAHTTSMN1; SMN2TSHR
SCHEMBL2008626 0.83 ALDH1A1 (0.60) PKMLMNAHTTSMN1; SMN2USP2
SCHEMBL3139507 0.83 CHRM4 (0.47) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL2012893 0.82 KMT2A (0.53) PKMLMNAHTTSMN1; SMN2USP2
SCHEMBL2006326 0.82 ALDH1A1 (0.50) PKMLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2010721 0.82 PKM (0.51) PKMLMNAHTTSMN1; SMN2TSHR

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