SCHEMBL6970010

SCHEMBL6970010

CS(=O)(=O)c1sc(C(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
DAO P14920 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 4/20 0.38
ALOX15 P16050 1/20 0.38
PTPN2 P17706 2/20 0.35
GSK3B P49841 2/20 0.34
BCL2L1 Q07817 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
USP2 O75604 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 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
SCHEMBL8888381 0.84 LMNA (0.44) ALDH1A1LMNAMAPK1KDM4EMAPT
SCHEMBL5405617 0.75 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1DAOKDM4E
SCHEMBL6970016 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1
SCHEMBL3816299 0.74 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1DAOKDM4E
SCHEMBL1529532 0.72 DAO (0.63) ALDH1A1DAOKDM4EMAPTMEN1
SCHEMBL14507360 0.72 DAO (0.57) ALDH1A1LMNAMAPK1DAOKDM4E
SCHEMBL21962947 0.71 PTGS1 (0.45) ALDH1A1LMNAMAPK1KDM4EMAPT
SCHEMBL899479 0.71 GSK3B (0.61) ALDH1A1LMNADAOKDM4EMAPT
Bromide SCHEMBL8935164 0.70 GSK3B (0.59) ALDH1A1LMNADAOKDM4EMAPT
Hydrochloric Acid SCHEMBL8935203 0.70 GSK3B (0.59) ALDH1A1LMNADAOKDM4EMAPT

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 5 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
CN-1073988-C Substituted heteroaromatic acylguanidines, process for their preparation, their use as medicaments and medicaments containing them HOECHST AG (DE) 2001-10-31 CN disclosed
US-5698581-A ANTIISCHEMIC AGENTS, ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
CN-1117044-A Substituted heteroaromatic acylguanidines, process for their preparation, their use as medicaments and medicaments containing them HOECHST AG (DE) 1996-02-21 CN 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