SCHEMBL16953158

SCHEMBL16953158

[CH2]C(C)c1cccc(C2CC2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.35
▸ ADRA2B P18089 4/20 0.35
▸ ADRA2C P18825 4/20 0.35
▸ PDK2 Q15119 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR1A P08908 2/20 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
SCHEMBL16962253 0.81 — —
SCHEMBL16950597 0.80 ADRA2A (0.36) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16950960 0.80 HTR2C (0.43) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16958709 0.79 ADRA2A (0.35) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16952157 0.79 NOTUM (0.36) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16955738 0.78 — —
SCHEMBL16955619 0.76 ADRA2A (0.34) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16952945 0.76 ADRA2A (0.34) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16962728 0.76 ADRA2A (0.37) ADRA2AADRA2BADRA2CPDK2PDK4
SCHEMBL16955804 0.75 IDO1 (0.32) —

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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