SCHEMBL29428702

SCHEMBL29428702

O=S(=O)(Oc1cccc2cccc(C(F)(F)F)c12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.38
DRD2 P14416 9/20 0.38
DRD3 P35462 6/20 0.38
HTR1D P28221 2/20 0.38
DRD4 P21917 4/20 0.34
HTR5A P47898 1/20 0.34
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL19948204 1.00 FABP1 (0.38) FABP1DRD2DRD3HTR1DDRD4
SCHEMBL25323447 0.82 FABP1 (0.39) FABP1DRD2DRD3HTR1DDRD4
SCHEMBL6207099 0.81 PPARG (0.43) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL7601041 0.80 DRD2 (0.39) DRD2DRD3HTR1DDRD4HTR5A
Iodide SCHEMBL7773907 0.80 PPARG (0.42) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17080387 0.79 FABP1 (0.40) FABP1DRD2DRD3HTR1DDRD4
SCHEMBL3082218 0.79 MRGPRX4 (0.46) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL22554976 0.78 FABP1 (0.37) FABP1DRD2DRD3HTR1DDRD4
SCHEMBL22208151 0.78 PDE4A (0.37) FABP1DRD2DRD3HTR1DDRD4
SCHEMBL30064840 0.78 PDE4A (0.37) FABP1DRD2DRD3HTR1DDRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216951-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-02 EP disclosed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 WO disclosed