SCHEMBL4638451

SCHEMBL4638451

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPAS1 Q99814 4/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.36
KCNH2 Q12809 2/20 0.36
PLA2G7 Q13093 1/20 0.35
PTPN1 P18031 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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 0.86 SCN9A (0.39) SCN9AMEN1KMT2AEPAS1HTR2A
SCHEMBL4637612 0.85 HTT (0.43) SCN9AMEN1KMT2AEPAS1HTR2A
SCHEMBL4638348 0.83 EPAS1 (0.39) SCN9AMEN1KMT2AEPAS1HTR2A
SCHEMBL2065645 0.76 NR3C1 (0.43) MEN1KMT2AEPAS1
SCHEMBL4637490 0.73 EPAS1 (0.43) SCN9AKMT2AEPAS1HTTALDH1A1
SCHEMBL4637551 0.73 CYP1A2 (0.39) SCN9AMEN1KMT2AHTR2AHTR2C
SCHEMBL4638321 0.71 PLA2G7 (0.40) SCN9AEPAS1PLA2G7PTPN1HTT
SCHEMBL4637581 0.71 SCN9A (0.41) SCN9AEPAS1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4637574 0.70 EPAS1 (0.51) SCN9AEPAS1PLA2G7
SCHEMBL4637444 0.69 EPAS1 (0.53) EPAS1PTGS1PTGS2

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