SCHEMBL8840398

SCHEMBL8840398

CCOCc1nccc(NOCc2ccccc2)c1OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
PRMT5 O14744 1/20 0.33
NPC1 O15118 2/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
NR3C1 P04150 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8415131 0.83 HTR1A (0.37) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8840390 0.79 NPC1 (0.37) HTR1AADRA1DADRA1AADRA1BRAB9A
SCHEMBL8708906 0.79 NPC1 (0.37) HTR1AADRA1DADRA1AADRA1BRAB9A
SCHEMBL8840545 0.77 NPC1 (0.33) L3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL8705892 0.75 TSHR (0.35) RAB9AMEN1KMT2ANPC1TSHR
SCHEMBL8416182 0.73 NPC1 (0.39) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8840433 0.72 PRMT5 (0.36) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8840438 0.72 HDAC3 (0.36) MEN1KMT2A
SCHEMBL8840426 0.72 PRMT5 (0.36) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8840514 0.71 KLKB1 (0.34) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed