SCHEMBL15210356

SCHEMBL15210356

Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.64
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ DDX3X O00571 1/20 0.47
▸ KCNJ6 P48051 1/20 0.46
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ CA12 O43570 5/20 0.46
▸ CA1 P00915 5/20 0.46

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
SCHEMBL14437899 0.92 ENPP2 (0.74) ENPP2MAPTALDH1A1POLBKCNJ6
SCHEMBL9321648 0.92 ENPP2 (0.74) ENPP2MAPTALDH1A1POLBKCNJ6
SCHEMBL14254893 0.91 ENPP2 (0.72) ENPP2MAPTPOLBAPEX1CASP6
SCHEMBL17255098 0.91 ENPP2 (0.72) ENPP2MAPTALDH1A1POLBKCNJ6
SCHEMBL26977995 0.91 ENPP2 (0.72) ENPP2MAPTALDH1A1POLBKCNJ6
SCHEMBL15282738 0.91 ENPP2 (0.72) ENPP2MAPTALDH1A1POLBL3MBTL1
SCHEMBL17562373 0.87 ENPP2 (0.67) ENPP2MAPTALDH1A1POLBKCNJ6
SCHEMBL16363758 0.87 ENPP2 (0.67) ENPP2MAPTKDM4EALDH1A1POLB
SCHEMBL700458 0.86 ENPP2 (0.53) ENPP2MAPTKDM4ENSD2ALDH1A1
SCHEMBL376794 0.86 ENPP2 (0.53) ENPP2MAPTKDM4ENSD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817402-B1 COLOR PROTECTION DETERGENT HENKEL AG & CO KGAA (DE) 2017-07-05 — — EP disclosed
US-8940681-B2 Color protection detergent HENKEL AG & CO. KGAA (DE) 2015-01-27 — — US disclosed
EP-2817402-A1 COLOR PROTECTION DETERGENT Henkel AG&Co. KGAA (DE) 2014-12-31 — — EP disclosed
US-20140352080-A1 COLOR PROTECTION DETERGENT HENKEL AG & CO. KGAA (DE) 2014-12-04 — — US disclosed
WO-2013123981-A1 COLOR PROTECTION DETERGENT HENKEL AG & CO. KGAA (DE) 2013-08-29 — — WO disclosed
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