SCHEMBL4687697

SCHEMBL4687697

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1.O=S(=O)(Cc1ccccc1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2012035 0.90 VCAM1 (0.53) VCAM1MAPTSMN1; SMN2THRBLMNA
SCHEMBL2007026 0.82 CNR1 (0.47) LMNATSHRMAPK1HSD11B1GAA
SCHEMBL2002863 0.82 L3MBTL1 (0.49) TSHRGAA
SCHEMBL2006592 0.81 MEN1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1USP2
SCHEMBL2007289 0.81 MEN1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1USP2
SCHEMBL4688564 0.81 PKM (0.54) MAPTSMN1; SMN2LMNAALDH1A1USP2
SCHEMBL3135736 0.80 VCAM1 (0.51) VCAM1MAPTSMN1; SMN2THRBLMNA
SCHEMBL2000970 0.79 VCAM1 (0.42) VCAM1MAPTSMN1; SMN2THRBLMNA
SCHEMBL2006521 0.77 PKM (0.49) MAPTSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL2007303 0.77 PKM (0.57) SMN1; SMN2LMNAALDH1A1TSHRHTT

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