SCHEMBL7873830

SCHEMBL7873830

CC(C)OC(=O)c1ccc2c(ccn2C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
JMJD6 Q6NYC1 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN11 Q06124 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL7880047 0.87 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL28265716 0.87 MAPK14 (0.39) CA12CA1CA2CA7CA9
SCHEMBL4740640 0.81 HCAR3 (0.55) SMN1; SMN2MAPK14EPHX2PPARGHCAR3
SCHEMBL23054216 0.79 TP53 (0.46) ALDH1A1SMN1; SMN2MAPTMAPK14LMNA
SCHEMBL16595470 0.79 HCAR3 (0.42) MAPK14EPHX2PPARGHCAR3
SCHEMBL707094 0.77 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL8041186 0.76 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL16595954 0.75 ATM (0.38) ALDH1A1L3MBTL1HTTMAPTMAPK14
SCHEMBL233864 0.75 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL7873400 0.74 SLC9A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed