SCHEMBL7877752

SCHEMBL7877752

CCOC(=O)C(C)=NNc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.62
TP53 P04637 1/20 0.62
NPC1 O15118 1/20 0.59
ATM Q13315 1/20 0.59
MAPT P10636 7/20 0.58
LMNA P02545 5/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GPR35 Q9HC97 1/20 0.48
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
ABCB1 P08183 1/20 0.45
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 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
SCHEMBL7943758 1.00 GAA (0.62) GAATP53NPC1ATMMAPT
SCHEMBL5353227 0.89 ALDH1A1 (0.58) GAATP53NPC1ATMMAPT
SCHEMBL5353225 0.89 ALDH1A1 (0.58) GAATP53NPC1ATMMAPT
SCHEMBL218432 0.87 GAA (0.64) GAATP53NPC1ATMMAPT
SCHEMBL218433 0.87 GAA (0.64) GAATP53NPC1ATMMAPT
SCHEMBL4041504 0.87 GAA (0.49) GAATP53NPC1ATMMAPT
SCHEMBL4041503 0.87 GAA (0.49) GAATP53NPC1ATMMAPT
SCHEMBL21740004 0.85 GAA (0.56) GAATP53NPC1ATMMAPT
SCHEMBL14139923 0.83 ABCB1 (0.52) GAATP53ATMMAPTLMNA
SCHEMBL4404099 0.83 ABCB1 (0.52) GAATP53ATMMAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed