SCHEMBL7815519

SCHEMBL7815519

COC(=O)c1cccc(-n2nccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ESRRA P11474 1/20 0.46
GAA P10253 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44
RAB9A P51151 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.44
ROCK1 Q13464 1/20 0.44
PKM P14618 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
SCHEMBL14454774 0.85 NPBWR1 (0.53) ALDH1A1HPGDESRRALMNAALOX15
SCHEMBL7826898 0.82 POLB (0.59) TP53POLBALDH1A1HPGDL3MBTL1
SCHEMBL6165919 0.81 TP53 (0.50) TP53ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL303757 0.77 CCR1 (0.55) TP53ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8703770 0.77 POLB (0.45) POLB
Hydrochloric Acid SCHEMBL8704101 0.76 POLB (0.44) POLB
SCHEMBL13532243 0.76 TP53 (0.48) TP53ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL544605 0.76 POLB (0.58) POLBALDH1A1HPGDMAPTLMNA
Hydrochloric Acid SCHEMBL7828161 0.76 POLB (0.46) POLB
Hydrochloric Acid SCHEMBL27406349 0.76 POLB (0.46) POLB

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