SCHEMBL6960604

SCHEMBL6960604

COC(=O)Oc1cc(S(C)(=O)=O)c(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 2/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 1/20 0.33
VCAM1 P19320 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8094674 0.80 CUL4A (0.43) CUL4AALDH1A1KDM4ELMNAMAPT
SCHEMBL6961979 0.79 KDM4E (0.34) CUL4AALDH1A1VCAM1KDM4ELMNA
SCHEMBL6972980 0.77 CUL4A (0.40) CUL4APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8888390 0.77 MAPT (0.46) ALDH1A1VCAM1KDM4ELMNAMAPT
SCHEMBL6967817 0.70 LMNA (0.35) ALDH1A1KDM4ELMNAMAPT
SCHEMBL25209597 0.69 PTGS2 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL5268489 0.68 CUL4A (0.34) CUL4AALDH1A1LMNAMAPTMMP2
SCHEMBL6223306 0.67 CUL4A (0.41) CUL4AALDH1A1KDM4ELMNAMAPT
SCHEMBL5200826 0.67 CHRNA1 (0.40) CUL4AALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5201465 0.67 RAB9A (0.46) CUL4ALMNA

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-0676395-B1 Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells HOECHST AG (DE) 2003-09-03 EP disclosed
EP-0676395-A2 Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP disclosed