SCHEMBL2867184

SCHEMBL2867184

O=C(Nc1ccc(C=Cc2ccc([AsH2])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.53
▸ RAD51 Q06609 1/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ ACE2 Q9BYF1 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ PABPC1 P11940 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL29366447 0.92 ENPP2 (0.60) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL5694390 0.92 ENPP2 (0.60) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL5694392 0.92 ENPP2 (0.60) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL15786964 0.88 NPC1 (0.57) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL29360736 0.85 ENPP2 (0.53) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL376794 0.85 ENPP2 (0.53) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL700458 0.85 ENPP2 (0.53) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL7219219 0.82 PRMT1 (0.52) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL9820416 0.81 MEN1 (0.57) ENPP2RAD51NPC1RAB9AMEN1
SCHEMBL9820417 0.81 MEN1 (0.57) ENPP2RAD51NPC1RAB9AMEN1

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-2010151329-A1 ASSAYS INVOLVING COLORIMETRIC SIGNALING SEVENTH SENSE BIOSYSTEMS, INC. (US) 2010-12-29 — — WO disclosed
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