SCHEMBL17368963

SCHEMBL17368963

CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C)c(C#N)c(=O)n(CC(CC)CCCC)c2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MITF O75030 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17368953 0.95 MAPT (0.34) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL17368967 0.92 TSHR (0.35) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL16382637 0.90 MAPT (0.38) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL17944048 0.89 MAPT (0.33) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL18024072 0.88 MEN1 (0.39) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL17368973 0.88 MAPT (0.38) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL17944051 0.88 MAPT (0.32) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL16382617 0.88 MAPT (0.42) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL15243136 0.88 MAPT (0.41) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL17368977 0.88 MAPT (0.34) MAPTMEN1KMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9811014-B2 Yellow toner and production method therefor CANON KABUSHIKI KAISHA (JP) 2017-11-07 US disclosed
US-9811014-B2 Yellow toner and production method therefor CANON KABUSHIKI KAISHA (JP) 2017-11-07 US disclosed
US-20150378273-A1 YELLOW TONER AND PRODUCTION METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2015-12-31 US disclosed
US-20150378273-A1 YELLOW TONER AND PRODUCTION METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2015-12-31 US disclosed