SCHEMBL9436719

SCHEMBL9436719

CS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.68
GAA P10253 3/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ERAP1 Q9NZ08 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ERAP2 Q6P179 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL9196797 0.98 SLC9A1 (0.66) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL9191941 0.87 SLC9A1 (0.67) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL8575378 0.86 SLC9A1 (0.52) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL9436740 0.85 KDM4E (0.64) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL9746223 0.85 SLC9A1 (0.64) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL9436694 0.83 NPSR1 (0.56) SLC9A1GAAKDM4EPOLBTDP1
SCHEMBL29357040 0.81 SLC9A1 (1.00) SLC9A1
SCHEMBL3906519 0.81 SLC9A1 (1.00) SLC9A1
Hydrochloric Acid SCHEMBL9436769 0.80 SLC9A1 (0.98) SLC9A1
Hydrochloric Acid SCHEMBL9436783 0.80 SLC9A1 (0.98) SLC9A1

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
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed