SCHEMBL9130909

SCHEMBL9130909

O=C(O)C(Cc1ccccc1)(C(=O)O)N1CCOCCOCCN(C(Cc2ccccc2)(C(=O)O)C(=O)O)CCOCCOCC1.[Na].[Na].[Na].[Na]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FKBP1A P62942 1/20 0.48
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL11452360 0.98 FKBP1A (0.49) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL9129926 0.91 KMT2A (0.42) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL9129605 0.89 HSD17B10 (0.43) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL9130890 0.87 KMT2A (0.46) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL11869541 0.83 SMN1; SMN2 (0.47) KMT2AMEN1HTTALDH1A1TSHR
SCHEMBL11870403 0.82 SMN1; SMN2 (0.46) KMT2AMEN1HTTALDH1A1TSHR
SCHEMBL9129963 0.80 KMT2A (0.40) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL9129585 0.78 KMT2A (0.39) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL11463078 0.77 MEN1 (0.45) KMT2AMEN1NPSR1FKBP1AUSP2
SCHEMBL29097432 0.73 ALDH1A1 (0.50) KMT2AMEN1NPSR1FKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5440031-A Form stable complexes with radioactive metal ions which can be eliminated from organism Orszagos "Frederic Joliot-Curie" Sugar-biologiai es Sugaregeszsegugyi Kutato Intezet (HU) 1995-08-08 US disclosed