SCHEMBL6053229

SCHEMBL6053229

O=C(O)Oc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[nH]1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10703075 0.81 ALDH1A1 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1266941 0.81 ALKBH5 (0.49) KDM4EALDH1A1
SCHEMBL10400766 0.78 KDM4E (0.33) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL692667 0.78 MAPT (0.52) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8990040 0.78 ALDH1A1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11025769 0.78 KDM4E (0.31) KDM4EALDH1A1MAPT
SCHEMBL9342365 0.78
SCHEMBL9338763 0.77 ALDH1A1 (0.33) KDM4EALDH1A1MAPT
SCHEMBL10703638 0.77 ALDH1A1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL9505993 0.76 ALDH1A1 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2

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-1272223-B1 THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME KTB TUMORFORSCHUNGS GMBH (DE) 2006-05-31 EP disclosed
EP-1272223-A1 THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME KTB Tumorforschungsgesellschaft mbH (DE) 2003-01-08 EP disclosed
WO-2001068142-A1 THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2001-09-20 WO disclosed