SCHEMBL9840564

SCHEMBL9840564

[CH2]c1ccc(OCCF)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.40
MAPT P10636 2/20 0.40
SNCA P37840 1/20 0.40
SLC18A3 Q16572 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 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
SCHEMBL9839005 0.83 L3MBTL1 (0.33) MAPTL3MBTL1
SCHEMBL9839025 0.80 HRH3 (0.31) MAPTHRH3
SCHEMBL9839954 0.80 HRH3 (0.31) MAPTHRH3
SCHEMBL30461568 0.76 KDM4E (0.49) APPMAPTSNCAPIK3CDPIK3CA
SCHEMBL120011 0.76 APP (0.40) APPMAPTSNCASLC18A3
SCHEMBL13420116 0.76 APP (0.40) APPMAPTSNCASLC18A3ELOVL1
SCHEMBL16466281 0.76 APP (0.40) APPMAPTSNCA
SCHEMBL16943516 0.76 KDM4E (0.49) APPMAPTSNCAPIK3CDPIK3CA
SCHEMBL15489125 0.76 APP (0.43) APPMAPTSNCA
SCHEMBL28627900 0.76 CHRNB2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 EP disclosed