SCHEMBL8887983

SCHEMBL8887983

COC(=O)c1cc(C(C)C)c(S(C)(=O)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HPGD P15428 4/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
OPRD1 P41143 1/20 0.35

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
SCHEMBL6967817 0.78 LMNA (0.35) KDM4EMAPTLMNAMAPK1ALDH1A1
SCHEMBL8888381 0.78 LMNA (0.44) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL2406933 0.77 KDM4E (0.43) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL8888354 0.76 KDM4E (0.50) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL5405012 0.74 LMNA (0.41) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL2304762 0.69 MCL1 (0.49) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL12272917 0.69 FABP3 (0.42) KDM4EMAPTLMNAHPGDALDH1A1
SCHEMBL8888390 0.69 MAPT (0.46) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL21962947 0.69 PTGS1 (0.45) KDM4EMAPTLMNANPSR1PPARG
SCHEMBL8579254 0.69 SLC9A1 (0.59) KDM4ESMN1; SMN2SLC9A1VCAM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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