SCHEMBL19975616

SCHEMBL19975616

Cc1cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(P(C)(=O)O)n3)CCN(Cc3cc(C(=O)OCc4ccccc4)cc(P(C)(=O)O)n3)C[C@@H]2CCCCNC(=O)OC(C)(C)C)nc(P(C)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SUCNR1 Q9BXA5 2/20 0.34
BRD4 O60885 1/20 0.34
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL19975615 0.91 MAPT (0.33) L3MBTL1MAPTSIGMAR1POLBMAPK1
SCHEMBL19975610 0.88 MAPT (0.35) L3MBTL1MAPTSIGMAR1POLBMAPK1
SCHEMBL19975609 0.86 CHRM4 (0.39) L3MBTL1MAPTSIGMAR1MEN1RECQL
SCHEMBL19975783 0.86 MAPT (0.39) L3MBTL1MAPTSIGMAR1POLBMAPK1
SCHEMBL19975780 0.85 CHRM4 (0.39) L3MBTL1MAPTSIGMAR1POLBMAPK1
SCHEMBL19975612 0.84 POLB (0.35) L3MBTL1MAPTSIGMAR1POLBMAPK1
SCHEMBL19975607 0.84 CHRM4 (0.40) L3MBTL1MAPTSIGMAR1MEN1RECQL
SCHEMBL19975608 0.81 TDP1 (0.39) L3MBTL1MAPTMAPK1KMT2A
SCHEMBL19975599 0.77 TDP1 (0.43) L3MBTL1MAPTPOLBMAPK1KMT2A
SCHEMBL19975614 0.77 ITGB3 (0.37) MAPTSIGMAR1POLBMAPK1ITGB3

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