SCHEMBL8525409

SCHEMBL8525409

O=C(O)c1cc(=O)n(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
MAOA P21397 8/20 0.49
NR4A2 P43354 2/20 0.44
RHEB Q15382 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SLC26A4 O43511 1/20 0.40
KMT2A Q03164 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL8525411 0.86 MAOB (0.47) MAOBMAOANR4A2HRH3SLC26A4
SCHEMBL9116228 0.82 BCAT1 (0.51) MAOBMAOA
SCHEMBL8525104 0.79 MAOB (0.51) MAOBMAOANR4A2SRD5A2HRH3
SCHEMBL8525105 0.75 MAOB (0.49) MAOBMAOANR4A2HRH3SLC26A4
SCHEMBL9237657 0.74 MAOB (0.45) MAOBMAOA
SCHEMBL8524960 0.74 MAOB (0.50) MAOBMAOANR4A2HRH3
SCHEMBL8524954 0.73 MAOB (0.49) MAOBMAOANR4A2HRH3
SCHEMBL9114664 0.71 MAOB (0.47) MAOBMAOA
SCHEMBL8524033 0.71 MAOB (0.47) MAOBMAOA
SCHEMBL7677845 0.71 BCAT1 (0.46) ALDH1A1

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