SCHEMBL8540313

SCHEMBL8540313

CCON=C(C(=O)NC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(OC2CCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL7497239 0.94 PTGS1 (0.33) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL7494944 0.86 HIF1A (0.34) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL7495786 0.83 HIF1A (0.33)
SCHEMBL7495599 0.81 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7505113 0.81 PLK1 (0.39) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8544638 0.80 MAPK14 (0.35)
SCHEMBL7492711 0.80 MAPK14 (0.34) KMT2AMEN1
SCHEMBL7498531 0.80 HTR2A (0.33) KCNH2
SCHEMBL7503280 0.80 MAPT (0.35) ALDH1A1HTTLMNAMAPTCTSL
SCHEMBL8543773 0.78 HIF1A (0.35) KMT2AMEN1ALDH1A1LMNAMAPT

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