SCHEMBL4639019

SCHEMBL4639019

CS(=O)(=O)c1ccc(Oc2c[c]ccc2Cl)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.44
PTGS2 P35354 11/20 0.41
PTGS1 P23219 2/20 0.41
BRD4 O60885 4/20 0.41
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
CREBBP Q92793 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4637412 0.88 PTGS2 (0.43) EPAS1PTGS2PTGS1BRD4SMN1; SMN2
SCHEMBL4637426 0.87 PTGDR2 (0.42) EPAS1BRD4
SCHEMBL4638189 0.84 EPAS1 (0.39) EPAS1PTGS2PTGS1BRD4SMN1; SMN2
SCHEMBL4637551 0.84 CYP1A2 (0.39)
SCHEMBL4672154 0.82 EPAS1 (0.59) EPAS1
SCHEMBL4637450 0.79 PTGS2 (0.42) EPAS1PTGS2PTGS1
SCHEMBL4637444 0.77 EPAS1 (0.53) EPAS1PTGS2PTGS1BRD4
SCHEMBL4637479 0.75 PTGDR2 (0.41) EPAS1BRD4SMN1; SMN2
SCHEMBL4638324 0.74 KIF11 (0.43) EPAS1PTGS2PTGS1BRD4SMN1; SMN2
SCHEMBL1692088 0.72 SLC6A2 (0.39)

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 4 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
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed