SCHEMBL6970016

SCHEMBL6970016

CS(=O)(=O)c1sc(OC(=O)O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRD1 P41143 1/20 0.33

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
SCHEMBL6201000 0.76 GSK3B (0.41) ALDH1A1LMNA
SCHEMBL6970010 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1
SCHEMBL9158487 0.73 DAO (0.34)
SCHEMBL6958300 0.72 KEAP1 (0.35)
SCHEMBL8888381 0.71 LMNA (0.44) ALDH1A1LMNAMAPK1OPRD1
SCHEMBL6964660 0.68
SCHEMBL5046977 0.66 GPR35 (0.33)
SCHEMBL9176677 0.66 MAPT (0.52) ALDH1A1LMNAMAPK1
SCHEMBL5200748 0.64 CHRNA1 (0.39) ALDH1A1
SCHEMBL5202302 0.63 SLC9A1 (0.48)

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