SCHEMBL7816653

SCHEMBL7816653

COC(=O)c1ccc(OC)c(-n2cccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KMT2A Q03164 5/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL7831007 0.87 RAB9A (0.47) MAPTKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL7824669 0.83 CYP4A11 (0.43) MAPTKMT2APDE4APDE4BPDE4C
SCHEMBL7828077 0.83 MEN1 (0.45) MAPTKMT2APDE4APDE4BPDE4C
SCHEMBL27469088 0.83 ALDH1A1 (0.59) MAPTKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL7827414 0.83 ALDH1A1 (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL7823115 0.83 CA12 (0.59) MAPTKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7824617 0.81 HPGD (0.53) MAPTKMT2AL3MBTL1SMN1; SMN2MEN1
Guanidine SCHEMBL8700578 0.80 PDE4A (0.43) MAPTKMT2APDE4APDE4BPDE4C
SCHEMBL2592774 0.79 CA12 (0.59) MAPTKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL31213036 0.79 CA12 (0.59) MAPTKMT2AL3MBTL1SMN1; SMN2ALDH1A1

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