SCHEMBL19975760

SCHEMBL19975760

COC(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCNCCN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CHRM3 P20309 4/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC29A1 Q99808 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRMT5 O14744 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL19975600 0.95 CHRM3 (0.40) KDM5CKDM4CCHRM3KMT2AMEN1
SCHEMBL19975749 0.94 KMT2A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19975595 0.89 TDP1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19975603 0.86 PHGDH (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19975750 0.84 TDP1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL19975602 0.81 GPR119 (0.43) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL19975594 0.80 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2SLC6A2SLC6A3
SCHEMBL19975781 0.79 ALDH1A1 (0.39) ALDH1A1SIGMAR1SLC29A1KDM4ELMNA
SCHEMBL19975596 0.78 JMJD6 (0.49) KDM5CKDM4CKMT2AMEN1ALDH1A1
SCHEMBL19975605 0.78 KDM5C (0.38) KDM5CKDM4CCHRM3KMT2AALDH1A1

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