SCHEMBL9746223

SCHEMBL9746223

CS(=O)(=O)c1cc(C(=O)Cl)ccc1N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.64
MAPT P10636 4/20 0.46
SLC6A9 P48067 1/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9191941 0.99 SLC9A1 (0.67) SLC9A1MAPTSLC6A9HPGDALDH1A1
SCHEMBL9196797 0.87 SLC9A1 (0.66) SLC9A1HPGDALDH1A1TSHRMEN1
SCHEMBL9436719 0.85 SLC9A1 (0.68) SLC9A1TSHRMEN1KMT2AGAA
SCHEMBL3906519 0.79 SLC9A1 (1.00) SLC9A1
SCHEMBL29357040 0.79 SLC9A1 (1.00) SLC9A1
SCHEMBL8635738 0.78 SLC9A1 (0.47) SLC9A1SLC6A9ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9436783 0.78 SLC9A1 (0.98) SLC9A1
Hydrochloric Acid SCHEMBL9436769 0.78 SLC9A1 (0.98) SLC9A1
SCHEMBL3906516 0.77 SLC9A1 (0.64) SLC9A1MAPTALDH1A1RAB9ANPC1
Sulfuric Acid SCHEMBL8816679 0.77 SLC9A1 (0.95) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1049888-C Benzoylguanidine, process for preparing same, their use as medicine and medicine containing same HOECHST AG (DE) 2000-03-01 CN 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
CN-1050018-A Benzoylguanidines, they the preparation method, they are as the application of medicament and the medicament that contains them HOECHST AG (DE) 1991-03-20 CN disclosed