SCHEMBL7830816

SCHEMBL7830816

COC(=O)c1cccc(-n2cccc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.47
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TCF4 P15884 1/20 0.44

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
SCHEMBL27378865 0.85 TP53 (0.52) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL7823368 0.84 TP53 (0.51) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL7007417 0.83 TDP1 (0.52) ALDH1A1HPGDMAPTL3MBTL1RAB9A
SCHEMBL11176499 0.83 POLB (0.63) ALDH1A1GAAHPGDMAPTL3MBTL1
SCHEMBL7822264 0.82 TP53 (0.53) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL7816834 0.81 L3MBTL1 (0.55) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL7831178 0.80 TP53 (0.48) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL30392403 0.80 PMM2 (0.49) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL27405636 0.80 TP53 (0.48) ALDH1A1TP53GAAHPGDCYP1A2
SCHEMBL7826960 0.80 TP53 (0.48) ALDH1A1TP53GAAHPGDCYP1A2

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