SCHEMBL7193238

SCHEMBL7193238

O=S(=O)(Oc1ccc(-c2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 1.00
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA12 O43570 7/20 0.46
▸ CA2 P00918 7/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PGR P06401 1/20 0.43
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ AHR P35869 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40

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
SCHEMBL11849091 0.80 APEX1 (0.67) APEX1TDP1CA12CA2MEN1
SCHEMBL11779702 0.77 APEX1 (0.61) APEX1TDP1PGR
SCHEMBL11665975 0.76 APEX1 (0.60) APEX1TDP1CA12CA2MEN1
SCHEMBL11664859 0.76 APEX1 (0.60) APEX1TDP1MEN1KMT2APGR
SCHEMBL27978393 0.75 TDP1 (0.66) APEX1TDP1CA12CA2PGR
SCHEMBL7168081 0.75 APEX1 (0.59) APEX1MEN1KMT2AAHRPTGS2
SCHEMBL20449124 0.75 APEX1 (0.59) APEX1TDP1CA2MEN1KMT2A
SCHEMBL8600833 0.74 TDP1 (0.80) APEX1TDP1CA12CA2MEN1
SCHEMBL11623960 0.74 APEX1 (0.57) APEX1TDP1MEN1KMT2AALPL
SCHEMBL11702251 0.73 APEX1 (0.57) APEX1TDP1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
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