SCHEMBL367731

SCHEMBL367731

N#Cc1c2ccccc2n2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
PABPC1 P11940 1/20 0.41
CASP3 P42574 1/20 0.41
NCOA1 Q15788 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 5/20 0.38
STAT3 P40763 2/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
SCN9A Q15858 4/20 0.35

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
SCHEMBL367730 0.81 KDM4E (0.64) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL366922 0.77 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL364294 0.75 KMT2A (0.44) L3MBTL1MEN1KMT2AKDM4ELMNA
SCHEMBL367737 0.74 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL365010 0.72 KDM4E (0.44) MEN1KMT2AMAPK1KDM4EMAPT
SCHEMBL7589144 0.72 ALDH1A1 (0.38) MEN1KMT2AMAPK1KDM4EMAPT
SCHEMBL365000 0.72 HTT (0.42) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL365640 0.72 KMT2A (0.43) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL364542 0.69 ALDH1A1 (0.59) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL25074982 0.69 EGFR (0.44) L3MBTL1MEN1KMT2AMAPK1KDM4E

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