SCHEMBL8525104

SCHEMBL8525104

Cn1c(C(=O)O)cc(=O)n(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 4/20 0.51
SRD5A2 P31213 1/20 0.44
NR4A2 P43354 2/20 0.44
SLC26A4 O43511 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 4/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
FFAR1 O14842 2/20 0.41
SRD5A1 P18405 1/20 0.39

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
SCHEMBL8524960 0.91 MAOB (0.50) MAOBMAOANR4A2MCHR1KCNH2
SCHEMBL8524033 0.88 MAOB (0.47) MAOBMAOAMCHR1KCNH2SRD5A1
SCHEMBL8525105 0.86 MAOB (0.49) MAOBMAOANR4A2SLC26A4KMT2A
SCHEMBL8524954 0.84 MAOB (0.49) MAOBMAOANR4A2MCHR1KCNH2
SCHEMBL9114664 0.83 MAOB (0.47) MAOBMAOAMCHR1KCNH2SRD5A1
SCHEMBL8523914 0.82 MAOB (0.46) MAOBMAOAMCHR1KCNH2SRD5A1
SCHEMBL8525409 0.79 MAOB (0.49) MAOBMAOASRD5A2NR4A2SLC26A4
SCHEMBL8525411 0.75 MAOB (0.47) MAOBMAOANR4A2SLC26A4KMT2A
SCHEMBL7902160 0.72 MAOB (0.48) MAOBMAOAMCHR1KCNH2SRD5A1
SCHEMBL7610528 0.72 MAOB (0.43) MAOBMAOAMCHR1KCNH2SRD5A1

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
WO-1999001440-A1 SUBSTITUTED ARYLURACIL HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO disclosed