SCHEMBL9190020

SCHEMBL9190020

CC(C)Nc1ccc(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.55
NPSR1 Q6W5P4 1/20 0.50
NEU3 Q9UQ49 1/20 0.43
CDC25B P30305 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGFR P43088 1/20 0.41
PKM P14618 1/20 0.41
SLC9A1 P19634 2/20 0.41
SLC9A2 Q9UBY0 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13805751 0.82 HCAR3 (0.51) HCAR3NPSR1NEU3CDC25BL3MBTL1
SCHEMBL6801960 0.80 NPSR1 (0.43) HCAR3NPSR1NEU3CDC25BL3MBTL1
SCHEMBL6801964 0.80 NPSR1 (0.43) HCAR3NPSR1NEU3CDC25BL3MBTL1
SCHEMBL9196477 0.77 HCAR3 (0.58) HCAR3NPSR1SMN1; SMN2KDM4E
SCHEMBL5405584 0.76 CDC25B (0.53) NPSR1NEU3CDC25BL3MBTL1SMN1; SMN2
SCHEMBL3968070 0.76 SLC9A1 (0.64) NPSR1CDC25BSMN1; SMN2KDM4EPKM
SCHEMBL2617356 0.76 HCAR3 (0.59) HCAR3KDM4E
SCHEMBL29114280 0.76 HCAR3 (0.59) HCAR3SMN1; SMN2KDM4EPTGFRHTT
SCHEMBL22938569 0.76 HCAR3 (0.59) HCAR3NPSR1KDM4EPTGFRHTT
SCHEMBL31473433 0.76 GAA (0.61) HCAR3CDC25BL3MBTL1SMN1; SMN2KDM4E

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