SCHEMBL16601552

SCHEMBL16601552

CN(C)c1ccc(Nc2ccc(ON)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 3/20 0.46
ESR2 Q92731 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
THRB P10828 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL26321893 0.87 ALDH1A1 (0.58) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9479616 0.82 ALDH1A1 (0.65) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL222247 0.82 ALDH1A1 (0.65) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL3223775 0.82 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11725570 0.77 LMNA (0.54) MAPTRAB9AGAATDP1KDM4E
SCHEMBL80012 0.77 ALDH1A1 (0.73) SCN9AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2035896 0.74 ALDH1A1 (0.62) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL469853 0.74 ALDH1A1 (0.71) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9480018 0.74 ALDH1A1 (0.62) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11723882 0.74 ALDH1A1 (0.71) MAPTNPC1RAB9ASMN1; SMN2GAA

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed