SCHEMBL20109506

SCHEMBL20109506

CC(O)COCCNc1ccc(C(c2ccc(NCCOCC(C)O)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 10/20 0.40
MEN1 O00255 9/20 0.40
GAA P10253 4/20 0.39
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18216984 0.80 SLC2A1 (0.44) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL18216985 0.77 SLC2A1 (0.46) SLC2A1KMT2AGAAALDH1A1RAB9A
SCHEMBL16689637 0.75 SLC2A1 (0.47) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL8064500 0.75 MAPT (0.51) GAAALDH1A1RAB9AHPGDHTT
SCHEMBL5007874 0.73 SLC2A1 (0.45) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL5665347 0.72 SLC2A1 (0.41) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL18216981 0.72 TDP1 (0.43) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL15537946 0.71 MAPT (0.43) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL18216983 0.71 TDP1 (0.42) SLC2A1KMT2AMEN1GAAALDH1A1
SCHEMBL18216980 0.71 TDP1 (0.42) SLC2A1KMT2AMEN1GAAALDH1A1

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-20180119057-A1 METHODS OF USING LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2018-05-03 US disclosed