SCHEMBL8544638

SCHEMBL8544638

CCON=C(C(=O)NC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
GCGR P47871 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PTGER4 P35408 1/20 0.32
RAF1 P04049 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDR P35968 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PPARG P37231 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL7494042 0.94 MAPK14 (0.36) MAPK14GCGRHIF1APTGER4RAF1
SCHEMBL7492711 0.91 MAPK14 (0.34) MAPK14HIF1A
SCHEMBL7498166 0.87 HIF1A (0.42) MAPK14GCGRHIF1APTGER4TLR8
SCHEMBL7498531 0.85 HTR2A (0.33) CYP1A2
SCHEMBL7495786 0.84 HIF1A (0.33) HIF1A
SCHEMBL8441800 0.84 MAPK14 (0.37) MAPK14GCGRHIF1ANPSR1PTGER4
SCHEMBL7499092 0.83 MAOB (0.39) HIF1APPARG
SCHEMBL8540313 0.80 KMT2A (0.34)
SCHEMBL7496689 0.80 MAOB (0.41) HIF1APPARG
SCHEMBL7505113 0.78 PLK1 (0.39)

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-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed