SCHEMBL5204564

SCHEMBL5204564

COC(=O)c1cccc(-c2nc(OCc3ccc(F)cc3F)cc(=O)n2C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.44
PTGER1 P34995 2/20 0.40
PTGDR Q13258 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PPARA Q07869 1/20 0.38
GABRA5 P31644 1/20 0.38
MAOB P27338 1/20 0.38
CDK8 P49336 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL5207651 0.91 PTGER1 (0.49) MAPK14PTGER1PTGDRPPARAKDM5B
SCHEMBL5202766 0.90 MAPK14 (0.49) MAPK14PTGER1MAOB
SCHEMBL5203740 0.85 CYP1A1 (0.42) MAPK14PTGER1MAOB
SCHEMBL5203927 0.82 MAPK14 (0.49) MAPK14PTGER1MAOB
SCHEMBL3523399 0.79 MAPK14 (0.51) MAPK14PTGER1MRGPRX4
SCHEMBL3524202 0.75 MAPK14 (0.59) MAPK14MAOB
SCHEMBL5322585 0.74 MAPK14 (0.56) MAPK14PTGER1
SCHEMBL5320422 0.74 MAPK14 (0.50) MAPK14PTGER1
SCHEMBL3525402 0.73 MAPK14 (0.49) MAPK14PTGER1MAOB
SCHEMBL5205590 0.73 MAOB (0.39) MAPK14PTGER1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed