SCHEMBL3363775

SCHEMBL3363775

N#Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
TRPV4 Q9HBA0 1/20 0.43
SLC22A12 Q96S37 3/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
HSD11B1 P28845 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
EPAS1 Q99814 4/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
STS P08842 2/20 0.39
CYP19A1 P11511 2/20 0.39
VEGFA P15692 1/20 0.38

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
SCHEMBL5728291 0.83 EPAS1 (0.45) TRPV4SLC22A12PDE4APDE4CPDE4D
SCHEMBL31245789 0.83 SLC22A12 (0.41) TRPV4SLC22A12PDE4APDE4CPDE4D
SCHEMBL21723413 0.83 SLC22A12 (0.41) TRPV4SLC22A12PDE4APDE4CPDE4D
SCHEMBL1738137 0.82 TRPV4 (0.54) TRPV4SLC22A12MRGPRX4PDE4APDE4C
SCHEMBL16179448 0.82 MRGPRX4 (0.42) ARTRPV4MRGPRX4PDE4APDE4C
SCHEMBL1398164 0.81 AR (0.48) ARTRPV4PDE4APDE4CPDE4D
SCHEMBL1411551 0.79 PTGS1 (0.46) MRGPRX4EPAS1
SCHEMBL16962986 0.78 PTGDR2 (0.41) TRPV4HSD11B1PDE4APDE4CPDE4D
SCHEMBL27825202 0.78 EPAS1 (0.43) SLC22A12HSD11B1EPAS1
SCHEMBL6700942 0.77 PDE4A (0.42) TRPV4HSD11B1PDE4APDE4CPDE4D

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed