SCHEMBL19975592

SCHEMBL19975592

COc1ccc(CC(=O)N2CCNCCN(C)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.84
SMN1; SMN2 Q16637 1/20 0.74
GFER P55789 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
HPGD P15428 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.52
GPR183 P32249 1/20 0.52
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL92507 0.92 SMN1; SMN2 (0.82) MAPTSMN1; SMN2GFERL3MBTL1SIGMAR1
SCHEMBL9321597 0.92 MAPT (1.00) MAPTSMN1; SMN2GFERL3MBTL1SIGMAR1
SCHEMBL19975593 0.81 MAPT (0.78) MAPTSMN1; SMN2GFERL3MBTL1SIGMAR1
SCHEMBL3673014 0.80 SMN1; SMN2 (0.58) MAPTSMN1; SMN2GFERL3MBTL1SIGMAR1
SCHEMBL2236750 0.79 SMN1; SMN2 (0.84) MAPTSMN1; SMN2GFERL3MBTL1SIGMAR1
SCHEMBL13068565 0.77 FKBP1A (0.60) MAPTSMN1; SMN2SIGMAR1HPGDALDH1A1
SCHEMBL654109 0.76 TPSAB1 (0.76) MAPTSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL31499419 0.76 SMN1; SMN2 (0.79) MAPTSMN1; SMN2GFERL3MBTL1HPGD
SCHEMBL31499420 0.76 SMN1; SMN2 (0.79) MAPTSMN1; SMN2GFERL3MBTL1HPGD
SCHEMBL31499418 0.76 SMN1; SMN2 (0.79) MAPTSMN1; SMN2GFERL3MBTL1HPGD

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