SCHEMBL7435773

SCHEMBL7435773

CCOc1ccccc1C(=O)Nc1c(C#N)ccnc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
RXFP1 Q9HBX9 4/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
RAB9A P51151 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL7442632 0.82 MAPK1 (0.50) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL8899504 0.81 MEN1 (0.44) ALOX15RXFP1GAAMAPTMEN1
SCHEMBL7442172 0.78 MEN1 (0.69) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL7167114 0.76 MAPT (0.60) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL7160571 0.72 MAPT (0.55) MAPK1ALOX15GAAMAPTMEN1
SCHEMBL7160516 0.72 KCNK3 (0.65) MAPK1ALOX15GAAMAPTMEN1
SCHEMBL6332463 0.71 MAPT (0.54) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL15528576 0.71 MEN1 (0.67) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL988 0.70 MAPT (0.50) MAPK1ALOX15RXFP1GAAMAPT
SCHEMBL7721826 0.70 PTPN1 (0.58) MAPK1RXFP1GAAMAPTMEN1

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-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0656898-B1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1997-01-22 EP disclosed
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 US disclosed
EP-0656898-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS. PFIZER RES & DEV (IE) 1995-06-14 EP disclosed
WO-1994005661-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1994-03-17 WO disclosed