SCHEMBL19975749

SCHEMBL19975749

COC(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
JMJD6 Q6NYC1 1/20 0.43
HPGD P15428 1/20 0.43
SLC29A1 Q99808 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
BRD4 O60885 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
SCHEMBL19975595 0.95 TDP1 (0.43) KMT2ATDP1SLC6A2SLC6A3MEN1
SCHEMBL19975760 0.94 KDM5C (0.43) KMT2ATDP1SLC6A2SLC6A3MEN1
SCHEMBL19975603 0.91 PHGDH (0.41) KMT2ATDP1SLC6A2SLC6A3MEN1
SCHEMBL19975750 0.90 TDP1 (0.48) KMT2ATDP1SLC6A2SLC6A3MEN1
SCHEMBL19975600 0.90 CHRM3 (0.40) KMT2ATDP1MEN1ALDH1A1SMN1; SMN2
SCHEMBL19975602 0.86 GPR119 (0.43) KMT2AMEN1ALDH1A1MAPTBRD4
SCHEMBL19975594 0.85 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL19975781 0.84 ALDH1A1 (0.39) ALDH1A1LMNASLC29A1L3MBTL1
SCHEMBL19975596 0.83 JMJD6 (0.49) KMT2ATDP1SLC6A2SLC6A3MEN1
SCHEMBL19975599 0.81 TDP1 (0.43) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945957-B1 NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2023-11-08 EP disclosed
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed