SCHEMBL7611954

SCHEMBL7611954

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)nc3)cc2N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TERT O14746 6/20 0.38
GRM2 Q14416 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
MCHR1 Q99705 4/20 0.34
SRD5A1 P18405 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL7677446 0.90 HDAC1 (0.40) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7610528 0.89 MAOB (0.43) MCHR1SRD5A1MAOB
SCHEMBL7618281 0.86 CHRM5 (0.37) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7684095 0.80 HDAC1 (0.40) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7236458 0.80 MAOB (0.38) MCHR1SRD5A1MAOB
SCHEMBL9114664 0.78 MAOB (0.47) MCHR1SRD5A1MAOB
SCHEMBL7613555 0.77 CHRM5 (0.37) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7610613 0.74 MAOB (0.41) ALDH1A1MCHR1SRD5A1MAOB
SCHEMBL9114814 0.73 MCHR1 (0.47) ALDH1A1NPC1RAB9AMAPTMCHR1
SCHEMBL7610769 0.73 MAOB (0.41) MCHR1SRD5A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432879-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed