SCHEMBL7824946

SCHEMBL7824946

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.52
POLB P06746 8/20 0.52
APEX1 P27695 6/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
RECQL P46063 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 7/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
NSD2 O96028 1/20 0.50
NR4A1 P22736 1/20 0.50
MAPK1 P28482 1/20 0.50
PTPN7 P35236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 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
SCHEMBL7824949 1.00 L3MBTL1 (0.52) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7816834 0.84 L3MBTL1 (0.55) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7824120 0.84 LMNA (0.45) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7824115 0.84 LMNA (0.45) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7824322 0.81 L3MBTL1 (0.72) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7826399 0.81 L3MBTL1 (0.72) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7824329 0.81 L3MBTL1 (0.72) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7825532 0.80 L3MBTL1 (0.56) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7827403 0.80 L3MBTL1 (0.56) L3MBTL1POLBAPEX1MAPTALDH1A1
SCHEMBL7825527 0.80 L3MBTL1 (0.56) L3MBTL1POLBAPEX1MAPTALDH1A1

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 4 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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US 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