SCHEMBL9436734

SCHEMBL9436734

CCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ERAP1 Q9NZ08 7/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ERAP2 Q6P179 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.47
SLC9A1 P19634 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 SCHEMBL11713016 0.88 ERAP1 (0.48) GAAMEN1KMT2AERAP1KDM4E
SCHEMBL9436763 0.85 MAPT (0.55) GAAMEN1KMT2AERAP1KDM4E
Hydrochloric Acid SCHEMBL9436766 0.84 SLC9A1 (0.68) SLC9A1
Hydrochloric Acid SCHEMBL9189932 0.83 SLC9A1 (0.45) GAAMEN1KMT2AKDM4ETDP1
SCHEMBL9436694 0.83 NPSR1 (0.56) GAAMEN1KMT2AERAP1KDM4E
SCHEMBL11710944 0.80 ERAP1 (0.50) GAAMEN1KMT2AERAP1KDM4E
SCHEMBL9436719 0.79 SLC9A1 (0.68) GAAMEN1KMT2AERAP1KDM4E
SCHEMBL9196821 0.79 SLC9A1 (0.67) ALDH1A1SLC9A1
SCHEMBL9196797 0.78 SLC9A1 (0.66) GAAMEN1KMT2AERAP1KDM4E
SCHEMBL9196817 0.78 SLC9A1 (0.44) GAAMEN1KMT2AKDM4EL3MBTL1

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