SCHEMBL7816615

SCHEMBL7816615

COC(=O)c1ccc(CO)c(-n2cccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
P4HB P07237 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
FBP1 P09467 1/20 0.42
KIF11 P52732 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL7825760 0.83 KDM5A (0.45) ALDH1A1LMNACYP4F2CYP4A11CA12
SCHEMBL7825259 0.83 CYP1A2 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL7827414 0.80 ALDH1A1 (0.53) ALDH1A1LMNACA12CA1CA2
SCHEMBL27469088 0.80 ALDH1A1 (0.59) ALDH1A1LMNACA12CA1CA2
SCHEMBL7823115 0.80 CA12 (0.59) ALDH1A1LMNACA12CA1CA2
Guanidine SCHEMBL8707017 0.79 SLC9A1 (0.35) ALDH1A1LMNAP4HBFBP1MEN1
SCHEMBL7816653 0.79 MAPT (0.54) ALDH1A1LMNAP4HBCA12CA1
SCHEMBL7824669 0.78 CYP4A11 (0.43) ALDH1A1LMNACYP4F2CYP4A11CA12
SCHEMBL12788047 0.77 CA1 (0.53) ALDH1A1LMNAP4HBCYP4F2CYP4A11
SCHEMBL2592774 0.77 CA12 (0.59) ALDH1A1LMNACA12CA1CA2

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