SCHEMBL7815973

SCHEMBL7815973

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NR4A1 P22736 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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 0.93 CA12 (0.48) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7828377 0.90 CA12 (0.48) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7823742 0.87 CA12 (0.43) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7826352 0.86 KDM4E (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL7827674 0.83 ALDH1A1 (0.45) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7830993 0.83 L3MBTL1 (0.40) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7826272 0.82 AOC2 (0.43) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7234945 0.82 CA12 (0.60) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL9121827 0.82 CA12 (0.60) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL7830000 0.81 AOC2 (0.40) TSHRKDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
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
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN 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