SCHEMBL7843394

SCHEMBL7843394

COC(=O)c1cccc(-n2cccc2CC=NO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
NR4A1 P22736 1/20 0.45
APEX1 P27695 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TP53 P04637 3/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
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
SCHEMBL7843385 1.00 MAPT (0.45) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL9065400 0.80 POLB (0.44) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL9065396 0.80 POLB (0.44) MAPTL3MBTL1MAPK1TDP1NSD2
Hydrochloric Acid SCHEMBL9045263 0.79 POLB (0.44) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL7824329 0.79 L3MBTL1 (0.72) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL7824322 0.79 L3MBTL1 (0.72) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL7826399 0.79 L3MBTL1 (0.72) MAPTL3MBTL1MAPK1TDP1NSD2
SCHEMBL7825574 0.79 PDGFRB (0.52) MAPTL3MBTL1TP53ALDH1A1GAA
SCHEMBL7826771 0.78 MAPT (0.57) MAPTPOLBTP53ALDH1A1GAA
Iodide SCHEMBL7831453 0.78 TP53 (0.45) MAPTL3MBTL1MAPK1TP53ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP 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