SCHEMBL16655113

SCHEMBL16655113

CN(C)CNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.57
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 6/20 0.51
CASP7 P55210 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.50
IDO1 P14902 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL972656 0.85 ALDH1A1 (0.65) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL29504306 0.85 ALDH1A1 (0.65) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL7973853 0.82 KAT2B (0.66) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL162875 0.81 KAT2B (0.60) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL6198859 0.81 KAT2B (0.80) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL29516821 0.81 KAT2B (0.64) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL9781715 0.81 KAT2B (0.64) KAT2BMAPTL3MBTL1MAPK1MEN1
SCHEMBL12515298 0.81 KAT2B (0.69) KAT2BMAPTL3MBTL1MAPK1MEN1
Bromide SCHEMBL28202540 0.80 KAT2B (0.58) KAT2BMAPTL3MBTL1MAPK1MEN1
Hydrochloric Acid SCHEMBL3652036 0.80 KAT2B (0.61) KAT2BMAPTL3MBTL1MAPK1MEN1

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
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed