SCHEMBL9305916

SCHEMBL9305916

O=[N+]([O-])c1ccc(CC(CN=Cc2cccs2)CN=Cc2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 8/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PLCG2 P16885 1/20 0.40
HPGD P15428 1/20 0.37
PTK2B Q14289 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL21715569 0.83 ALDH1A1 (0.55) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9307566 0.73 POLB (0.55) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL14582031 0.73 ALDH1A1 (0.59) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11238413 0.69 RAB9A (0.49) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9306614 0.68 THRB (0.53) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL19076196 0.66 MAPT (0.62) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11687647 0.66 RAB9A (0.57) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL2240896 0.65 LOXL2 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL2240772 0.65 TSHR (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6889395 0.65 LOXL2 (0.62) ALDH1A1MEN1KMT2APOLBLMNA

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