SCHEMBL7822502

SCHEMBL7822502

COC(=O)c1cccc(-n2ccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TDP2 O95551 2/20 0.46
PMM2 O15305 1/20 0.45
MPI P34949 1/20 0.45
RAB9A P51151 1/20 0.45
PHOSPHO1 Q8TCT1 1/20 0.45
GAA P10253 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
GRM5 P41594 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLAU P00749 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LOXL2 Q9Y4K0 1/20 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
SCHEMBL7825273 0.83 GRM5 (0.47) PMM2MPIPHOSPHO1GAAALDH1A1
SCHEMBL1906970 0.83 HTT (0.51) ALDH1A1MAPT
SCHEMBL27382417 0.81 TP53 (0.51) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL27383697 0.81 TP53 (0.51) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL27403228 0.80 TP53 (0.50) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL27383013 0.80 TP53 (0.50) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL27400146 0.80 TP53 (0.50) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL7826346 0.78 TP53 (0.52) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL7828065 0.78 AOC2 (0.61) TP53PMM2MPIRAB9APHOSPHO1
SCHEMBL8703979 0.78 AOC2 (0.45) TDP2RAB9AGRM5L3MBTL1

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