SCHEMBL7930744

SCHEMBL7930744

O=C(O)c1cc(S(=O)(=O)O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 5/20 0.55
ALKBH5 Q6P6C2 3/20 0.55
FTO Q9C0B1 3/20 0.55
KDM4A O75164 3/20 0.55
KDM5C P41229 3/20 0.55
KDM3A Q9Y4C1 3/20 0.55
KDM5B Q9UGL1 2/20 0.55
KDM6B O15054 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM2A Q9Y2K7 2/20 0.55
KDM5A P29375 2/20 0.55
TET3 O43151 1/20 0.55
BBOX1 O75936 1/20 0.55
MAPT P10636 1/20 0.55
ASPH Q12797 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
TET2 Q6N021 1/20 0.55
KDM7A Q6ZMT4 1/20 0.55
KDM8 Q8N371 1/20 0.55

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
SCHEMBL28654286 0.83 KDM4E (0.53) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL20790368 0.83 KDM4E (0.53) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL30525023 0.83 KDM4E (0.53) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL22221305 0.79 ALDH1A1 (0.56) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL23497385 0.78 KDM4E (0.47) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL29971106 0.78 KDM4E (0.47) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL1072803 0.77 ALDH1A1 (0.43) KDM4EALDH1A1KDM4AKDM5CKDM3A
SCHEMBL29774730 0.77 ALDH1A1 (0.43) KDM4EALDH1A1KDM4AKDM5CKDM3A
SCHEMBL30800092 0.74 KMO (0.71) KDM4EALDH1A1ALKBH5FTOKDM4A
SCHEMBL7513922 0.74 KMO (0.71) KDM4EALDH1A1ALKBH5FTOKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250565-C Synthesis of proteins by native chemical ligation SCRIPPS RESEARCH INST (US) 2006-04-12 CN claimed
CN-1187823-A Synthesis of proteins by native chemical ligation SCRIPPS RESEARCH INST (US) 1998-07-15 CN claimed
CN-1810837-A Synthesis of proteins by native chemical ligation SCRIPPS RESEARCH INST (US) 2006-08-02 CN disclosed
CN-1250565-C Synthesis of proteins by native chemical ligation SCRIPPS RESEARCH INST (US) 2006-04-12 CN disclosed
CN-1451013-A Nucleophile-stable thoester generating compounds, method of production and use GRYPHON SCIENCES (US) 2003-10-22 CN disclosed
EP-1128729-A1 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2001-09-05 EP disclosed
WO-2000027203-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2000-05-18 WO disclosed
CN-1187823-A Synthesis of proteins by native chemical ligation SCRIPPS RESEARCH INST (US) 1998-07-15 CN disclosed