SCHEMBL6961979

SCHEMBL6961979

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SLC9A1 P19634 3/20 0.33
ALDH1A1 P00352 1/20 0.33
VCAM1 P19320 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.31
CUL4A Q13619 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8888354 0.79 KDM4E (0.50) KDM4ELMNAMAPTSLC9A1ALDH1A1
SCHEMBL6960604 0.79 CUL4A (0.37) KDM4ELMNAMAPTALDH1A1VCAM1
SCHEMBL6967817 0.75 LMNA (0.35) KDM4ELMNAMAPTSLC9A1ALDH1A1
SCHEMBL6972980 0.70 CUL4A (0.40) LMNAALDH1A1CUL4A
SCHEMBL5268489 0.67 CUL4A (0.34) LMNAMAPTALDH1A1CUL4ACA12
SCHEMBL8094674 0.65 CUL4A (0.43) KDM4ELMNAMAPTALDH1A1CUL4A
SCHEMBL8887983 0.62 KDM4E (0.46) KDM4ELMNAMAPTSLC9A1ALDH1A1
SCHEMBL5198179 0.62 HDAC3 (0.49) LMNASLC9A1CA12CA1CA2
SCHEMBL5230123 0.61 CHRNA7 (0.38) LMNAMAPTALDH1A1CUL4A
SCHEMBL5237648 0.61 STING1 (0.49)

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