SCHEMBL988

SCHEMBL988

CCOc1ccccc1C(=O)Nc1c(C)nn(C)c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCRTR1 O43613 1/20 0.49
KCNMA1 Q12791 1/20 0.48
TERT O14746 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL30357138 0.87 TERT (0.65) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL1792 0.87 TERT (0.65) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL12462401 0.85 ALDH1A1 (0.46) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL5233782 0.81 USP2 (0.48) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL1669 0.80 TERT (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7167114 0.79 MAPT (0.60) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL7003270 0.79 TERT (0.48) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL6475637 0.78 MAPT (0.49) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL6332463 0.78 MAPT (0.54) MAPTTP53MAPK1GAAALDH1A1
SCHEMBL8067045 0.78 TERT (0.52) MAPTTP53SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
WO-1993006104-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-01 WO disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed