SCHEMBL7849461

SCHEMBL7849461

Cn1c(C(F)(F)F)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.48
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGES O14684 3/20 0.39
HPGD P15428 1/20 0.37
MAOA P21397 5/20 0.37
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL7851641 0.90 MAOB (0.38) MAOBLMNASMN1; SMN2NPSR1PTGES
SCHEMBL7851719 0.85 MAOB (0.52) MAOBARNPSR1MAOA
SCHEMBL7843357 0.81 MAOB (0.47) MAOBARMAOA
SCHEMBL7850608 0.79 PTGES (0.35) MAOBLMNASMN1; SMN2NPSR1PTGES
SCHEMBL8087595 0.75 MAOB (0.45) MAOBMAOA
SCHEMBL7841395 0.74 MAOB (0.44) MAOBARLMNASMN1; SMN2NPSR1
SCHEMBL7612058 0.72 BCAT2 (0.42) MAOBARLMNASMN1; SMN2NPSR1
SCHEMBL7854098 0.71 NPC1 (0.40) MAOBMAOA
SCHEMBL7610613 0.71 MAOB (0.41) MAOBARPTGESMAOATLR4
SCHEMBL2964633 0.69 MAOB (0.52) MAOBLMNASMN1; SMN2NPSR1MAOA

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-1066267-A1 SUBSTITUTED PHENYL URACILS Bayer Aktiengesellschaft (DE) 2001-01-10 EP disclosed
WO-1999028302-A1 SUBSTITUTED PHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1999-06-10 WO disclosed