SCHEMBL6972980

SCHEMBL6972980

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 2/20 0.40
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRD1 P41143 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CCR4 P51679 1/20 0.32
USP2 O75604 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
SCHEMBL6970016 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1OPRD1
SCHEMBL8094674 0.80 CUL4A (0.43) CUL4AALDH1A1LMNAUSP2HSD17B10
SCHEMBL6967817 0.79 LMNA (0.35) ALDH1A1LMNAMAPK1
SCHEMBL6960604 0.77 CUL4A (0.37) CUL4AALDH1A1LMNAPIK3CDPIK3CA
SCHEMBL8888381 0.75 LMNA (0.44) ALDH1A1LMNAMAPK1OPRD1
SCHEMBL5268489 0.74 CUL4A (0.34) CUL4AALDH1A1LMNAMAPK1MMP2
SCHEMBL5200826 0.70 CHRNA1 (0.40) CUL4AALDH1A1HSD17B10
SCHEMBL6961979 0.70 KDM4E (0.34) CUL4AALDH1A1LMNA
SCHEMBL6223306 0.67 CUL4A (0.41) CUL4AALDH1A1LMNAMAPK1HSD17B10
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