SCHEMBL365986

SCHEMBL365986

CCOc1ccc(COc2cc(OC(=O)N(C)C)cn3c2c(C#N)c2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.34
STAT3 P40763 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
AS3MT Q9HBK9 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE4A P27815 1/20 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
SCHEMBL366618 0.92 MEN1 (0.37) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL366816 0.92 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL365769 0.86 LTB4R (0.39) KMT2AMEN1ALDH1A1CNR2LMNA
SCHEMBL365837 0.85 CNR2 (0.37) KMT2AMEN1ALDH1A1CNR2LMNA
SCHEMBL367691 0.85 ACHE (0.40) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL365114 0.84 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL366080 0.83 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL365985 0.79 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL365593 0.78 MRGPRX4 (0.39) LTB4RLTB4R2
SCHEMBL366851 0.78 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBCNR2

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