SCHEMBL14280402

SCHEMBL14280402

C#COc1cc2c(=O)c3cc(OCC)c(OCC)cc3n(CCCC)c2cc1OC#C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 5/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
XBP1 P17861 1/20 0.35
RECQL P46063 1/20 0.35
MAPK1 P28482 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL14315155 0.89 KDM4E (0.42) KDM4EALDH1A1HSD17B10POLBHTT
SCHEMBL14280398 0.81 PGR (0.51) KDM4EALDH1A1LMNAL3MBTL1PSEN1
SCHEMBL14280401 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14280389 0.77 PGR (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14315154 0.70 PSEN1 (0.51) ALDH1A1HPGDL3MBTL1PSEN1PSEN2
SCHEMBL14280385 0.69 PGR (0.52) ALDH1A1MEN1KMT2AL3MBTL1PSEN1
SCHEMBL21915048 0.66 PIM1 (0.50) ALDH1A1L3MBTL1PGRRORARORC
SCHEMBL29431065 0.66 PIM1 (0.50) ALDH1A1L3MBTL1PGRRORARORC
SCHEMBL14280397 0.66 PSEN1 (0.52) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL14493936 0.65 RORA (0.62) KDM4EALDH1A1POLBLMNAHPGD

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-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed