SCHEMBL28569050

SCHEMBL28569050

O=[N+]([O-])[CH]Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
ACP3 P15309 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MIF P14174 2/20 0.43
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
DAO P14920 2/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL14894202 0.84 FBP1 (0.57) FBP1MAOAMAOBACP3TAAR1
SCHEMBL28570686 0.80 FBP1 (0.51) FBP1MAOAMAOBTAAR1IDO1
SCHEMBL39835 0.79 TAAR1 (0.56) MAOBACP3TAAR1IDO1HTR2A
SCHEMBL3012993 0.78 TAAR1 (0.51) FBP1MAOAMAOBACP3TAAR1
SCHEMBL8552968 0.77 HTR2A (0.49) FBP1MAOAMAOBACP3TAAR1
SCHEMBL8552966 0.77 HTR2A (0.49) FBP1MAOAMAOBACP3TAAR1
SCHEMBL5703037 0.75 IDO1 (0.59) MAOBACP3TAAR1IDO1HTR2A
SCHEMBL10780845 0.75 TAAR1 (0.57) FBP1MAOAMAOBACP3TAAR1
SCHEMBL1048397 0.75 IDO1 (0.54) MAOBACP3TAAR1IDO1HTR2A
SCHEMBL1048398 0.75 IDO1 (0.54) MAOBACP3TAAR1IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709310-B Substituted cyclic amides and their use as herbicides FMC公司 2021-09-24 CN disclosed
CN-113402394-A Aryl-substituted bicyclic compounds as herbicides FMC公司 2021-09-17 CN disclosed
CN-107592862-B Aryl-substituted bicyclic compounds as herbicides FMC公司 2021-06-15 CN disclosed