SCHEMBL3828581

SCHEMBL3828581

CN(C)c1ccc(C(=O)C(=O)c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
MAPT P10636 8/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
GSK3B P49841 1/20 0.53
TP53 P04637 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3824666 0.87 GSK3B (0.66) MAPTRAB9ASMN1; SMN2HTTGSK3B
SCHEMBL9094196 0.87 SLC2A1 (0.67) SLC2A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL14982059 0.86 RAB9A (0.54) MAPTRAB9ASMN1; SMN2HTTTP53
SCHEMBL10471535 0.84 SLC2A1 (0.55) SLC2A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL9827103 0.84 PRKDC (0.55) SLC2A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL14982133 0.80 GSK3B (0.58) MAPTRAB9ASMN1; SMN2GSK3BTP53
SCHEMBL14982132 0.80 ALDH1A1 (0.61) MAPTRAB9ASMN1; SMN2GSK3BTP53
SCHEMBL1663460 0.80 MAPT (0.69) MAPTRAB9ASMN1; SMN2HTTTP53
SCHEMBL18492951 0.79 PRKDC (0.56) SLC2A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL10472739 0.79 SLC2A1 (0.49) SLC2A1MAPTRAB9ASMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 EP disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 US disclosed