SCHEMBL366080

SCHEMBL366080

CN(C)C(=O)Oc1cc(OCCc2ccccc2)c2c(C#N)c3ccccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
STAT3 P40763 1/20 0.38
ACHE P22303 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL366816 0.92 KMT2A (0.37) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL366531 0.91 MEN1 (0.36) ALDH1A1MAPK1STAT3ACHEMEN1
SCHEMBL367691 0.91 ACHE (0.40) ALDH1A1MAPK1ACHEMEN1KMT2A
SCHEMBL365114 0.88 ALDH1A1 (0.34) ALDH1A1MAPK1STAT3MEN1KMT2A
SCHEMBL365189 0.86 ACHE (0.37) ALDH1A1ACHECYP11B1CYP11B2SCN9A
SCHEMBL366612 0.84 ACHE (0.38) ACHEKMT2ACYP11B1CYP11B2SCN9A
SCHEMBL365103 0.84 MAPT (0.38) ALDH1A1MAPK1STAT3MEN1KMT2A
SCHEMBL366618 0.84 MEN1 (0.37) ALDH1A1MAPK1ACHEMEN1KMT2A
SCHEMBL365986 0.83 KMT2A (0.38) ALDH1A1MAPK1STAT3MEN1KMT2A
SCHEMBL366851 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTTSHR

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed