SCHEMBL9307566

SCHEMBL9307566

O=[N+]([O-])c1ccc(CC(CN=Cc2cccc(O)c2O)CN=Cc2cccc(O)c2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 6/20 0.55
CCR6 P51684 2/20 0.55
MAPT P10636 7/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL9305916 0.73 ALDH1A1 (0.50) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9306514 0.70 CDC25C (0.40) POLBMEN1KMT2AGAACCR6
SCHEMBL8957833 0.67 MEN1 (0.51) POLBMEN1KMT2AGAACCR6
SCHEMBL2240772 0.67 TSHR (0.58) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL2240896 0.67 LOXL2 (0.52) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL12416649 0.66 SIRT2 (0.69) POLBMEN1KMT2AGAACCR6
SCHEMBL18071831 0.64 LOXL2 (0.52) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL6889395 0.64 LOXL2 (0.62) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL14835611 0.64 POLB (0.50) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL14835610 0.64 POLB (0.50) POLBGAAMAPTKDM4EALDH1A1

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