SCHEMBL8102925

SCHEMBL8102925

COc1c(I)cc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
TPMT P51580 1/20 0.45
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
GPR35 Q9HC97 1/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL8354895 0.86 CA2 (0.41) TPMTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL14104505 0.78 LMNA (0.49) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL10370336 0.78 TPMT (0.51) LMNATPMTHSD17B10KDM4EALDH1A1
SCHEMBL24837048 0.76 TPMT (0.50) TPMTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL27598922 0.75 KDM4E (0.53) LMNATPMTHSD17B10KDM4EALDH1A1
SCHEMBL8354879 0.74 LMNA (0.42) LMNAHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL1815665 0.73 LMNA (0.64) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL1018520 0.73 LMNA (0.59) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL25284670 0.71 LMNA (0.57) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL27263689 0.71 LMNA (0.56) LMNAHSD17B10KDM4EALDH1A1HPGD

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
EP-0814077-B1 Benzoylguanidines, process for their preparation and medicaments containing them HOECHST AG (DE) 2000-04-05 EP disclosed
US-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
EP-0814077-A1 Benzoylguanidines, process for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-29 EP disclosed