SCHEMBL8087595

SCHEMBL8087595

Cn1c(C(F)(F)F)c(-c2ccc(OCc3ccc(Cl)c(N)c3)cc2F)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PLAT P00750 2/20 0.35
MAOA P21397 2/20 0.34
PLA2G7 Q13093 3/20 0.34
DRD1 P21728 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FFAR1 O14842 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL7851719 0.83 MAOB (0.52) MAOBPLATMAOA
SCHEMBL9312250 0.77 KMO (0.32)
SCHEMBL7849461 0.75 MAOB (0.48) MAOBMAOA
SCHEMBL7843357 0.74 MAOB (0.47) MAOBPLATMAOADRD1
SCHEMBL7851641 0.72 MAOB (0.38) MAOBHDAC1HDAC6HDAC5
SCHEMBL7854098 0.71 NPC1 (0.40) MAOBMAOADRD1HDAC1HDAC6
SCHEMBL7236458 0.71 MAOB (0.38) MAOBS1PR1S1PR5MAOAPLA2G7
SCHEMBL30940103 0.70 KMO (0.32) DRD1
SCHEMBL8489930 0.70 MAOB (0.48) MAOBS1PR1S1PR5MAOAHRH3
SCHEMBL8687627 0.67 DRD1 (0.31) DRD1

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-1051404-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AG (DE) 2000-11-15 EP disclosed
WO-1999038851-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 WO disclosed