SCHEMBL4637490

SCHEMBL4637490

O=S(=O)(c1ccccc1)c1ccc(Oc2c[c]cc(Cl)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.43
SCN9A Q15858 1/20 0.39
HTR6 P50406 1/20 0.37
PPARG P37231 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 3/20 0.36
PNLIP P16233 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
PGR P06401 1/20 0.35
SLC16A1 P53985 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KIF18A Q8NI77 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
SCHEMBL4637470 0.87 SCN9A (0.39) EPAS1SCN9AKMT2A
SCHEMBL4637574 0.85 EPAS1 (0.51) EPAS1SCN9A
SCHEMBL4638321 0.84 PLA2G7 (0.40) EPAS1SCN9APPARGHTTMAPT
SCHEMBL4726020 0.83 PTGDR2 (0.41) EPAS1SCN9APTGDR2MAPTALDH1A1
SCHEMBL4637503 0.82 EPAS1 (0.49) EPAS1PTGDR2SMN1; SMN2LMNA
SCHEMBL4639087 0.80 EPAS1 (0.44) EPAS1PTGDR2SMN1; SMN2ALDH1A1
SCHEMBL2066535 0.76 PTGDR2 (0.54) EPAS1PTGDR2
SCHEMBL4637476 0.74 SCN9A (0.42) SCN9APTGDR2SMN1; SMN2CYP3A4
SCHEMBL10975673 0.74 TSHR (0.58) HTR6HTTMAPTLMNAALDH1A1
SCHEMBL4637612 0.73 HTT (0.43) EPAS1SCN9AHTR6HTTSMN1; SMN2

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