SCHEMBL11058388

SCHEMBL11058388

CCN(CCO)c1ccc(N=Nc2sc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 6/20 0.34
POLB P06746 5/20 0.34
MEN1 O00255 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL11320251 0.94 MAPT (0.42) ALDH1A1MAPTNPSR1KMT2APOLB
SCHEMBL14198815 0.94 MAPT (0.42) ALDH1A1MAPTNPSR1KMT2APOLB
SCHEMBL29383943 0.94 MAPT (0.42) ALDH1A1MAPTNPSR1KMT2APOLB
SCHEMBL11919714 0.94 MAPT (0.42) ALDH1A1MAPTNPSR1KMT2APOLB
SCHEMBL11948815 0.85 ALDH1A1 (0.38) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL11058382 0.85 NPSR1 (0.40) ALDH1A1MAPTNPSR1KMT2APOLB
SCHEMBL11948817 0.84 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL11065278 0.84 MAPT (0.35) ALDH1A1TDP1MAPTNPSR1KMT2A
SCHEMBL11948811 0.84 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL1097638 0.83 MAPT (0.37) ALDH1A1TSHRMAPTNPSR1KMT2A

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-4439513-A Color photographic light-sensitive material with naphthol redox dye releaser FUJI PHOTO FILM CO., LTD. (JP) 1984-03-27 US disclosed