SCHEMBL16950326

SCHEMBL16950326

[CH2]C(CO)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.40
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALKBH5 Q6P6C2 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
SCHEMBL27932073 0.81 MAPT (0.39) ADRB2MAPTMEN1KMT2ANPSR1
SCHEMBL16959293 0.80 AKR1C3 (0.38) ADRB2NOTUMTAS2R14ALKBH5
SCHEMBL16957221 0.80 IDO1 (0.41) ADRB2LMNANOTUM
SCHEMBL16950953 0.80 AKR1C3 (0.32) ADRB2
SCHEMBL16958465 0.78 — —
SCHEMBL16962848 0.78 AKR1C3 (0.39) ADRB2
SCHEMBL16952912 0.77 ADRB2 (0.36) ADRB2
SCHEMBL16959210 0.77 NOTUM (0.37) ADRB2MAPTMEN1KMT2ANPSR1
SCHEMBL16950546 0.76 AR (0.50) —
SCHEMBL16961809 0.76 NOTUM (0.36) ADRB2MAPTMEN1KMT2ANPSR1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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