SCHEMBL9306514

SCHEMBL9306514

O=[N+]([O-])c1ccc(CC(CNCc2cccc(O)c2O)CNCc2cccc(O)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CCR6 P51684 1/20 0.39
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CHRM2 P08172 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL9369552 0.81 TSHR (0.38) POLB
SCHEMBL13003576 0.77 ITGA4 (0.47) CDC25CMEN1KMT2APOLBLMNA
SCHEMBL9306614 0.72 THRB (0.53) MEN1KMT2APOLBLMNA
SCHEMBL8829958 0.71 LOXL2 (0.50) MEN1KMT2ALMNACHRM2LOXL2
SCHEMBL9307566 0.70 POLB (0.55) MEN1KMT2APOLBGAACCR6
SCHEMBL12765730 0.68 TSHR (0.67) LMNA
SCHEMBL2240896 0.67 LOXL2 (0.52) MEN1KMT2APOLBLMNACHRM2
SCHEMBL2240772 0.67 TSHR (0.58) MEN1KMT2APOLBLMNALOXL2
SCHEMBL4469551 0.67 CHRM2 (0.58) MEN1KMT2ACHRM2PTPRFPTPN2
SCHEMBL27522422 0.67 KEAP1 (0.59) MEN1KMT2APOLBGAAPTPRF

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-0417870-B1 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy DIAGNOSTIKFORSCHUNG INST (DE) 1994-07-20 EP disclosed
US-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed
EP-0417870-A2 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1991-03-20 EP disclosed