SCHEMBL19975602

SCHEMBL19975602

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
ACKR3 P25106 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 2/20 0.40
TLR9 Q9NR96 2/20 0.40
ACHE P22303 1/20 0.40
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 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
SCHEMBL19975595 0.91 TDP1 (0.43) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL19975603 0.87 PHGDH (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19975749 0.86 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1BRD4
SCHEMBL19975600 0.85 CHRM3 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19975760 0.81 KDM5C (0.43) MEN1KMT2AKDM4EALDH1A1
SCHEMBL19975613 0.80 CHRM4 (0.40) MEN1KMT2AMAPT
SCHEMBL19975609 0.78 CHRM4 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19975750 0.77 TDP1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19975604 0.76 GPR119 (0.41) GPR119ACKR3MEN1KMT2ABACE1
SCHEMBL19975780 0.76 CHRM4 (0.39) MAPTKDM4EALDH1A1

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