SCHEMBL9822611

SCHEMBL9822611

Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.59
NT5E P21589 3/20 0.46
CASP6 P55212 2/20 0.46
NSD2 O96028 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
USP28 Q96RU2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT1 Q99873 1/20 0.38

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
SCHEMBL11565618 0.87 APEX1 (0.60) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11565609 0.86 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11135640 0.86 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11589837 0.86 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL9795462 0.85 APEX1 (0.70) APEX1ALDH1A1POLBMAPTKMT2A
SCHEMBL11135636 0.84 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11589917 0.82 APEX1 (0.77) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL6560534 0.82 APEX1 (0.77) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL6562576 0.80 APEX1 (0.70) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11136924 0.80 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291588-B1 SIZING AGENT KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1991-09-04 EP disclosed
EP-0224976-B1 METHOD OF SIZING PAPER KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1989-10-18 EP disclosed
US-4826570-A PARTIAL ESTER OF ALKENYL SUCCINIC ACID, PAPERMAKING KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1989-05-02 US disclosed