SCHEMBL16959210

SCHEMBL16959210

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.37
▸ ADRB2 P07550 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ DHODH Q02127 1/20 0.32

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
SCHEMBL1104689 0.85 NOTUM (0.39) NOTUMADRB2MAPTHTTMEN1
SCHEMBL28797544 0.83 P2RX7 (0.40) NOTUMADRB2MAPTHTTMEN1
SCHEMBL27932073 0.81 MAPT (0.39) NOTUMADRB2MAPTHTTMEN1
SCHEMBL16961809 0.80 NOTUM (0.36) NOTUMADRB2MAPTHTTMEN1
SCHEMBL16957528 0.79 AKR1C3 (0.38) NOTUMLMNAAKR1C3AKR1C2TAS2R14
SCHEMBL16955438 0.78 AKR1C3 (0.34) AKR1C3AKR1C2
SCHEMBL16951994 0.78 AKR1C3 (0.44) NOTUMLMNAAKR1C3AKR1C2
SCHEMBL16952207 0.78 NOTUM (0.41) NOTUMAKR1C3AKR1C2PDE3BPDE3A
SCHEMBL16950326 0.77 ADRB2 (0.40) NOTUMADRB2MAPTHTTMEN1
SCHEMBL29009770 0.76 AKR1C3 (0.59) MAPTMEN1KMT2ALMNAAKR1C3

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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