SCHEMBL7598498

SCHEMBL7598498

O=C(O)CN(CCN(CC(=O)O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
APAF1 O14727 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
DNMT1 P26358 3/20 0.51
CYP2C19 P33261 1/20 0.50
DNMT3B Q9UBC3 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL7664427 0.95 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL30078422 0.95 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL7637083 0.91 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL12222321 0.89 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL6428126 0.89 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL30735894 0.84 KDM4E (0.64) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL30078454 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL22654031 0.83 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL22654030 0.83 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL12818038 0.83 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP claimed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US claimed
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed