SCHEMBL7797180

SCHEMBL7797180

C#CCON=C(C)C(=NOC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
NR4A2 P43354 2/20 0.51
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
POLB P06746 1/20 0.41
PDGFRA P16234 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41

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
SCHEMBL7797177 1.00 MAOB (0.55) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL6835119 0.90 MAOB (0.56) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7500251 0.87 HIF1A (0.57) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL6839176 0.87 MAOB (0.63) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7797160 0.85 LTA4H (0.39) MAOBMAPT
SCHEMBL7797156 0.85 LTA4H (0.39) MAOBMAPT
SCHEMBL6839961 0.85 MAOB (0.63) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7795135 0.85 MAOB (0.63) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL6839169 0.85 MAOB (0.63) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL8542652 0.81 HIF1A (0.51) MAOBNR4A2MAPTHTTL3MBTL1

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-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed
US-6288071-B1 FUNGICIDES, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed