SCHEMBL8070909

SCHEMBL8070909

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.53
TTR P02766 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TBXA2R P21731 8/20 0.47
CHEK2 O96017 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8073502 0.87 TTR (0.51) SRD5A2POLBTTRALDH1A1
SCHEMBL7995261 0.83 TTR (0.61) SRD5A2POLBTTRTDP1ALDH1A1
SCHEMBL8059681 0.82 TTR (0.45) POLBTTR
SCHEMBL8059364 0.82 PKM (0.55) POLBTTRTDP1ALDH1A1
SCHEMBL8070954 0.82 PKM (0.50) KDM4ETTRALDH1A1
SCHEMBL28738308 0.80 TBXA2R (0.62) MEN1KMT2AKDM4ETBXA2R
SCHEMBL17185272 0.79 SRD5A2 (0.61) SRD5A2MEN1KMT2AKDM4ETTR
SCHEMBL8068490 0.79 TTR (0.44) KMT2APOLBTTRALDH1A1
SCHEMBL8375480 0.78 HPGD (0.45) KDM4EPOLBTTRALDH1A1
SCHEMBL8375481 0.78 HPGD (0.45) KDM4EPOLBTTRALDH1A1

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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed