SCHEMBL20024329

SCHEMBL20024329

CCCCC(CC)COc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccccc3OC)n2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MEN1 O00255 9/20 0.44
LMNA P02545 5/20 0.44
MAPK1 P28482 5/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ATM Q13315 2/20 0.43
POLB P06746 3/20 0.41
MAPT P10636 10/20 0.40
NPSR1 Q6W5P4 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7021073 0.98 MEN1 (0.45) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL8866441 0.92 LMNA (0.41) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7217044 0.87 LMNA (0.42) KMT2AMEN1LMNAMAPK1ALDH1A1
SCHEMBL20024345 0.85 LMNA (0.41) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL14070539 0.85 NPC1 (0.40) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL6031655 0.85 LMNA (0.41) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL27861746 0.85 LMNA (0.42) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL1290508 0.84 LMNA (0.42) KMT2AMEN1LMNAMAPK1TP53
SCHEMBL29120353 0.84 LMNA (0.42) KMT2AMEN1LMNAMAPK1TP53
SCHEMBL28638598 0.84 LMNA (0.40) KMT2AMEN1LMNAMAPK1HTT

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
US-20180095374-A1 MIXTURE, TONER, AND DISPERSION CANON KABUSHIKI KAISHA (JP) 2018-04-05 US disclosed
US-20180095374-A1 MIXTURE, TONER, AND DISPERSION CANON KABUSHIKI KAISHA (JP) 2018-04-05 US disclosed