SCHEMBL9195357

SCHEMBL9195357

COCCCNS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.63
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.42
ERAP1 Q9NZ08 1/20 0.41

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
Hydrochloric Acid SCHEMBL9436760 0.99 SLC9A1 (0.62) SLC9A1ALDH1A1KDM4EMAPTALOX15
SCHEMBL9196821 0.89 SLC9A1 (0.67) SLC9A1ALDH1A1
Hydrochloric Acid SCHEMBL9436766 0.86 SLC9A1 (0.68) SLC9A1
SCHEMBL9436763 0.86 MAPT (0.55) ALDH1A1KDM4EMAPTALOX15HTT
SCHEMBL9195350 0.85 ALDH1A1 (0.49) SLC9A1ALDH1A1KDM4EMAPTALOX15
Hydrochloric Acid SCHEMBL9197008 0.84 ALDH1A1 (0.49) SLC9A1ALDH1A1KDM4EMAPTALOX15
SCHEMBL9192622 0.80 SLC9A1 (0.73) SLC9A1ERAP1
Hydrochloric Acid SCHEMBL9436682 0.79 SLC9A1 (0.72) SLC9A1ERAP1
SCHEMBL3906519 0.78 SLC9A1 (1.00) SLC9A1
SCHEMBL29357040 0.78 SLC9A1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 EP disclosed
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
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed