SCHEMBL16961809

SCHEMBL16961809

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ALKBH5 Q6P6C2 1/20 0.32
▸ TMPRSS4 Q9NRS4 1/20 0.31
▸ ADRB2 P07550 4/20 0.31

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 0.80 MAPT (0.39) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL16959210 0.80 NOTUM (0.37) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL16959834 0.79 IDO1 (0.40) NOTUMIDO1
SCHEMBL16960438 0.79 — —
SCHEMBL16961056 0.79 AKR1C3 (0.34) NOTUMTAS2R14PDE3BPDE3AALKBH5
SCHEMBL16950979 0.77 — —
SCHEMBL16950326 0.76 ADRB2 (0.40) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL16953493 0.76 AR (0.52) —
SCHEMBL1104689 0.76 NOTUM (0.39) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL16953177 0.76 KDM1A (0.34) —

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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