SCHEMBL4282756

SCHEMBL4282756

CC1(C)CC(SCc2c(C(F)(F)F)ccnc2OCc2ccccc2)=NO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
AR P10275 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL4288236 0.95 HTR6 (0.30) HTR6
SCHEMBL4282530 0.85 ULK1 (0.30)
SCHEMBL4295119 0.81
SCHEMBL4398070 0.73 CDC7 (0.39) AR
SCHEMBL4295539 0.71 RXRA (0.38) AR
SCHEMBL4287345 0.71 RXRA (0.41) AR
SCHEMBL22911695 0.70 MAOB (0.34) MAOB
SCHEMBL3381582 0.70 PIEZO1 (0.35)
SCHEMBL20855351 0.65 RAB9A (0.45) MAOB
SCHEMBL20855345 0.62 USP2 (0.41) MAOB

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-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed