SCHEMBL7828377

SCHEMBL7828377

COC(=O)c1cc(-n2cccc2)cc(-n2cccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
XDH P47989 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.45
ALDH1A1 P00352 7/20 0.45

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
SCHEMBL2357788 0.96 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL7823742 0.90 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7827674 0.90 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7815973 0.90 TSHR (0.44) CA12CA1CA2CA7CA9
SCHEMBL7826272 0.88 AOC2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7815961 0.85 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7822637 0.85 CYP4F2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7830993 0.85 L3MBTL1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7815981 0.84 FBP1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7830000 0.84 AOC2 (0.40) CA12CA1CA2CA7CA9

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed