SCHEMBL8345735

SCHEMBL8345735

COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
MAPT P10636 8/20 0.70
CNR1 P21554 2/20 0.65
GAA P10253 2/20 0.62
RAB9A P51151 4/20 0.60
HDAC1 Q13547 1/20 0.60
POLB P06746 1/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPC1 O15118 2/20 0.58
LMNA P02545 3/20 0.58
EPHX1 P07099 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL8345734 0.90 KMT2A (0.78) MEN1KMT2AMAPTGAARAB9A
SCHEMBL6442706 0.88 MEN1 (0.82) MEN1KMT2AMAPTGAARAB9A
SCHEMBL19427494 0.85 RAB9A (0.73) MEN1KMT2AMAPTGAARAB9A
SCHEMBL8350552 0.85 KMT2A (0.72) MEN1KMT2AMAPTGAARAB9A
SCHEMBL12316787 0.84 KMT2A (0.82) MEN1KMT2AMAPTGAARAB9A
SCHEMBL14350895 0.81 KMT2A (0.67) MEN1KMT2AMAPTGAARAB9A
SCHEMBL18196982 0.81 MEN1 (0.71) MEN1KMT2AMAPTGAARAB9A
SCHEMBL13955868 0.81 KMT2A (0.66) MEN1KMT2AMAPTGAARAB9A
SCHEMBL6564666 0.80 MEN1 (0.54) MEN1KMT2AMAPTCNR1GAA
SCHEMBL9035434 0.80 KMT2A (0.65) MEN1KMT2AMAPTGAARAB9A

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-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed