SCHEMBL9306614

SCHEMBL9306614

O=[N+]([O-])c1ccc(CC(CNCc2cccs2)CNCc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 1/20 0.40

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
Hydrochloric Acid SCHEMBL6122301 0.82 KMT2A (0.61) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9375607 0.80 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9307736 0.74 KMT2A (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5040863 0.74 THRB (0.55) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9306514 0.72 CDC25C (0.40) LMNAKMT2AMEN1POLB
SCHEMBL8829958 0.72 LOXL2 (0.50) LMNAKMT2AMEN1MAPTHDAC8
SCHEMBL28727053 0.70 ALDH1A1 (0.63) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2317467 0.69 MME (0.56) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9305916 0.68 ALDH1A1 (0.50) THRBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28541344 0.68 LOXL2 (0.47) LMNAKMT2AMEN1MAPTHDAC8

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