SCHEMBL7843383

SCHEMBL7843383

COC(=O)c1cccc(-n2cccc2/C(C)=N/O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 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
SCHEMBL7847204 1.00 TP53 (0.47) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL7843390 1.00 TP53 (0.47) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL7823368 0.86 TP53 (0.51) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL7822264 0.82 TP53 (0.53) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL7831178 0.80 TP53 (0.48) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL7828230 0.80 SLC9A1 (0.41) L3MBTL1MAPTMAPK1NSD2POLB
SCHEMBL7828228 0.80 SLC9A1 (0.41) L3MBTL1MAPTMAPK1NSD2POLB
SCHEMBL7828221 0.80 SLC9A1 (0.41) L3MBTL1MAPTMAPK1NSD2POLB
SCHEMBL7830816 0.79 ALDH1A1 (0.54) TP53HPGDGAAALDH1A1L3MBTL1
SCHEMBL27378865 0.79 TP53 (0.52) TP53HPGDGAAALDH1A1L3MBTL1

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