Sugi Predict

Sugi Predict / Compounds / SCHEMBL5202380

SCHEMBL5202380

SCHEMBL5202380

CC(C)n1cnc(OCc2ccc(F)cc2F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ MAPK14 Q16539 15/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ AGXT P21549 2/20 0.40
▸ ALKBH1 Q13686 1/20 0.39
▸ PTGER1 P34995 1/20 0.38

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
SCHEMBL5208575 0.77 MAPK14 (0.53) MAOBMAPK14
SCHEMBL5204044 0.77 MAPK14 (0.51) MAPK14
SCHEMBL13167711 0.77 MAPK14 (0.51) MAOBMAPK14IDO1AGXTALKBH1
SCHEMBL5205590 0.75 MAOB (0.39) MAOBMAPK14IDO1AGXTPTGER1
SCHEMBL5203740 0.74 CYP1A1 (0.42) MAOBMAPK14PTGER1
SCHEMBL5207326 0.72 MAOB (0.38) MAOBMAPK14IDO1AGXTPTGER1
SCHEMBL5207452 0.71 MEN1 (0.39) MAOBMAPK14IDO1AGXTPTGER1
SCHEMBL3521080 0.71 MAPK14 (0.55) MAOBMAPK14PTGER1
SCHEMBL5280738 0.71 MCHR1 (0.42) MAOBMAPK14IDO1AGXT
SCHEMBL3521699 0.69 MAPK14 (0.59) MAOBMAPK14

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