SCHEMBL16952200

SCHEMBL16952200

O[CH]c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPFFR2 Q9Y5X5 3/20 0.57
▸ NPFFR1 Q9GZQ6 2/20 0.57
▸ KDR P35968 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ NOTUM Q6P988 7/20 0.41
▸ LMNA P02545 1/20 0.40
▸ APP P05067 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL46855 0.82 NPFFR2 (0.54) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL9996968 0.80 NPFFR1 (0.53) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL9996969 0.80 NPFFR2 (0.53) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL40676 0.80 ALDH1A1 (0.57) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL1720610 0.79 NPFFR2 (0.53) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL15611218 0.79 NPFFR2 (0.65) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL15611217 0.79 NPFFR2 (0.65) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL2096625 0.77 NPFFR2 (0.50) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL2096623 0.77 NPFFR2 (0.50) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL16953201 0.76 APP (0.40) NPFFR2NPFFR1NOTUMAPP

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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