SCHEMBL7823368

SCHEMBL7823368

COC(=O)c1cccc(-n2cccc2C(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.46
PMM2 O15305 1/20 0.46
MPI P34949 1/20 0.46
RAB9A P51151 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL7822264 0.87 TP53 (0.53) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7843383 0.86 TP53 (0.47) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7847204 0.86 TP53 (0.47) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7843390 0.86 TP53 (0.47) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7831178 0.85 TP53 (0.48) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL27378865 0.84 TP53 (0.52) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7830816 0.84 ALDH1A1 (0.54) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL27405636 0.82 TP53 (0.48) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL27535460 0.81 TP53 (0.47) TP53GAAALDH1A1HPGDCYP1A2
SCHEMBL7816834 0.80 L3MBTL1 (0.55) TP53GAAALDH1A1HPGDCYP1A2

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
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
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed