SCHEMBL4637513

SCHEMBL4637513

CS(=O)(=O)c1ccc(Oc2[c]cccc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
EPAS1 Q99814 2/20 0.37
LMNA P02545 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL5570083 0.74 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2EPAS1ALOX5AP
SCHEMBL23652 0.74 NFE2L2 (0.33)
SCHEMBL9499646 0.73 HPGD (0.41) SMN1; SMN2LMNA
SCHEMBL4637412 0.73 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2BRD4PTGDR2
SCHEMBL5387729 0.72 PTGS2 (0.48) PTGS2PTGS1SMN1; SMN2BRD4PTGDR2
SCHEMBL5387735 0.71 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2BRD4PTGDR2
SCHEMBL10950526 0.71 EPAS1 (0.52) PTGS2PTGS1EPAS1LMNACYP11B1
SCHEMBL5397099 0.71 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2BRD4PTGDR2
SCHEMBL4637503 0.70 EPAS1 (0.49) PTGS2PTGS1SMN1; SMN2PTGDR2EPAS1
SCHEMBL5789256 0.70 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2PTGDR2CYP11B1

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