SCHEMBL1124

SCHEMBL1124

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 3/20 0.48
HCRTR1 O43613 2/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL28500406 0.72 MAPT (0.45) MEN1KMT2ARXFP1HCRTR1KCNK3
SCHEMBL30357138 0.71 TERT (0.65) MEN1KMT2ARXFP1HCRTR1MAPT
SCHEMBL1792 0.71 TERT (0.65) MEN1KMT2ARXFP1HCRTR1MAPT
SCHEMBL988 0.70 MAPT (0.50) MEN1KMT2ARXFP1HCRTR1KCNK3
SCHEMBL7435773 0.68 MAPK1 (0.49) MEN1KMT2ARXFP1HCRTR1KCNK3
SCHEMBL15528654 0.67 MAPT (0.74) MEN1KMT2AHPGDRXFP1HCRTR1
SCHEMBL7167114 0.67 MAPT (0.60) MEN1KMT2ARXFP1HCRTR1KCNK3
SCHEMBL22027959 0.67 HCRTR1 (0.82) MEN1KMT2AHPGDHCRTR1KCNK3
SCHEMBL5504642 0.66 MEN1 (0.83) MEN1KMT2AHPGDRXFP1HCRTR1
SCHEMBL12462401 0.66 ALDH1A1 (0.46) MEN1KMT2ARXFP1HCRTR1KCNK3

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 6 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
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed