SCHEMBL9315739

SCHEMBL9315739

COc1ccccc1C=CC=[N+]([O-])c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
BCHE P06276 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NTSR1 P30989 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
TP53 P04637 1/20 0.47
RELA Q04206 1/20 0.46
NFE2L2 Q16236 2/20 0.46
TFEB P19484 1/20 0.46
ABCB1 P08183 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9316426 0.88 NPC1 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL31538753 0.88 NPC1 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7972705 0.84 NPC1 (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL31538748 0.82 NFE2L2 (0.50) RAB9ANPC1MAPTLMNABCHE
SCHEMBL9315446 0.82 NFE2L2 (0.50) RAB9ANPC1MAPTLMNABCHE
SCHEMBL31538757 0.81 TSHR (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9315666 0.81 TSHR (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL31538752 0.75 MAPT (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9315516 0.75 MAPT (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL27635723 0.73 TP53 (0.66) MEN1KMT2ARAB9AMAPTLMNA

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-5310620-A Alkali-soluble nitrone compounds and contrast enhanced material comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-05-10 US disclosed