SCHEMBL19975595

SCHEMBL19975595

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM4 P08173 1/20 0.40
PRMT1 Q99873 1/20 0.40
SLC29A1 Q99808 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL19975603 0.96 PHGDH (0.41) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975749 0.95 KMT2A (0.45) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975600 0.94 CHRM3 (0.40) TDP1MAPTL3MBTL1KMT2AMEN1
SCHEMBL19975602 0.91 GPR119 (0.43) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL19975760 0.89 KDM5C (0.43) TDP1KMT2ASLC6A2SLC6A3MEN1
SCHEMBL19975750 0.85 TDP1 (0.48) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975594 0.81 KMT2A (0.50) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975613 0.80 CHRM4 (0.40) MAPTL3MBTL1KMT2AMEN1MAPK1
SCHEMBL19975781 0.80 ALDH1A1 (0.39) L3MBTL1ALDH1A1LMNACHRM4SLC29A1
SCHEMBL19975596 0.79 JMJD6 (0.49) TDP1MAPTKMT2ASLC6A2SLC6A3

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-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed