SCHEMBL9710732

SCHEMBL9710732

CN(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1.Cc1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
F10 P00742 1/20 0.35
HTR1D P28221 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 5/20 0.35
DRD3 P35462 4/20 0.35
DRD4 P21917 3/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL9380028 0.95 PPARG (0.41) BCHEACHEF10DRD2DRD3
SCHEMBL8503102 0.88 BCHE (0.46) BCHEACHEHTR1DHTR1AHTR1B
SCHEMBL30665126 0.82 DRD2 (0.42) HTR1DDRD2DRD3DRD4DRD1
SCHEMBL2984151 0.82 DRD2 (0.42) HTR1DDRD2DRD3DRD4DRD1
Hydrogen Sulfide SCHEMBL28795253 0.80 DRD2 (0.41) HTR1DDRD2DRD3DRD4DRD1
SCHEMBL14032144 0.76 DRD2 (0.41) HTR1DHTR1AHTR1BDRD2DRD3
Biphenyl SCHEMBL4350539 0.76 DRD2 (0.39) HTR1DDRD2DRD3DRD4DRD1
SCHEMBL6934553 0.73 MAPT (0.43) HTR1DDRD2DRD3DRD4DRD1
SCHEMBL5178160 0.72 CA1 (0.56) HTR1DHTR1AHTR1BDRD2DRD3
Iodide SCHEMBL8735164 0.71 DRD2 (0.40) HTR1DDRD2DRD3DRD4DRD1

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
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed