SCHEMBL4637544

SCHEMBL4637544

CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.55
BRD4 O60885 1/20 0.48
NR1H2 P55055 8/20 0.45
NR1H3 Q13133 8/20 0.45
AR P10275 1/20 0.45
PDE4B Q07343 1/20 0.44
PTGS1 P23219 2/20 0.44
P2RX4 Q99571 1/20 0.44
PTGS2 P35354 1/20 0.44
RXRA P19793 1/20 0.43

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
SCHEMBL10884180 0.81 EPAS1 (0.46) EPAS1NR1H2NR1H3PTGS1PTGS2
SCHEMBL2065914 0.77 PTGDR2 (0.49) EPAS1RXRA
SCHEMBL10882410 0.77 EPAS1 (0.43) EPAS1NR1H2NR1H3PTGS1PTGS2
SCHEMBL4637515 0.73 EPAS1 (0.45) EPAS1BRD4NR1H2NR1H3PTGS1
SCHEMBL2394875 0.73 PTGDR2 (0.48)
SCHEMBL4638189 0.72 EPAS1 (0.39) EPAS1BRD4NR1H2NR1H3PTGS1
SCHEMBL27866124 0.72 PTGDR2 (0.44) EPAS1
SCHEMBL1651701 0.72 EPAS1 (0.41) EPAS1NR1H2NR1H3
SCHEMBL1460007 0.72 KIF11 (0.45) EPAS1NR1H2NR1H3PTGS1PTGS2
SCHEMBL5831491 0.72 SLC6A4 (0.41) EPAS1BRD4NR1H2NR1H3PTGS1

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed