SCHEMBL28570686

SCHEMBL28570686

O=[N+]([O-])[CH]Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KIF11 P52732 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1D1 P20393 1/20 0.38
TGM2 P21980 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL28569050 0.80 FBP1 (0.53) FBP1MAOBMAOATAAR1IDO1
SCHEMBL624798 0.76 TAAR1 (0.50) MAOBTAAR1IDO1BCHEACHE
SCHEMBL28057460 0.75 FBP1 (0.47) FBP1MAOBMAOATAAR1IDO1
SCHEMBL28005929 0.75 CYP1A2 (0.50) FBP1MAOBMAOAIDO1NPC1
SCHEMBL27850460 0.75 MEN1 (0.36) TAAR1IDO1NPC1RAB9AKMT2A
SCHEMBL28013482 0.75 FBP1 (0.47) FBP1MAOBMAOAIDO1NPC1
SCHEMBL564297 0.74 MAOB (0.48) FBP1MAOBMAOAKMT2A
SCHEMBL148989 0.72 TAAR1 (0.52) FBP1MAOBTAAR1IDO1KIF11
SCHEMBL2267819 0.71 KIF11 (0.55) MAOBTAAR1IDO1KIF11
SCHEMBL9951459 0.70 KIF11 (0.50) FBP1MAOBTAAR1IDO1KIF11

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
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