SCHEMBL7446579

SCHEMBL7446579

CCCn1cnc(C(N)=O)c1NC(=O)c1ccccc1OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 2/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
USP2 O75604 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
SCHEMBL3029893 0.80 MAPT (0.50) MAPK1MAPTGAAALOX15MEN1
SCHEMBL7353383 0.78 LMNA (0.49) MAPK1MAPTGAAALOX15MEN1
SCHEMBL7026143 0.77 MEN1 (0.44) MAPK1MAPTGAAALOX15MEN1
SCHEMBL9367320 0.75 ALDH1A1 (0.35) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL7442172 0.75 MEN1 (0.69) MAPK1MAPTGAAALOX15MEN1
SCHEMBL3023896 0.72 MAPT (0.49) MAPK1MAPTGAAALOX15MEN1
SCHEMBL7167114 0.72 MAPT (0.60) MAPK1MAPTGAAALOX15MEN1
SCHEMBL7442632 0.72 MAPK1 (0.50) MAPK1MAPTGAAALOX15MEN1
SCHEMBL988 0.71 MAPT (0.50) MAPK1MAPTGAAALOX15MEN1
SCHEMBL7160571 0.71 MAPT (0.55) MAPK1MAPTGAAALOX15MEN1

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
US-5734053-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS PFIZER INC (US) 1998-03-31 US disclosed
EP-0647227-B1 PURINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1996-10-09 EP disclosed
EP-0647227-A1 PURINONE ANTIANGINAL AGENTS. PFIZER LTD (GB) 1995-04-12 EP disclosed
WO-1994000453-A1 PURINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1994-01-06 WO disclosed