SCHEMBL9587995

SCHEMBL9587995

COC(=O)OCCN(CCOC(=O)OC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.40
MMP14 P50281 1/20 0.39
MAPT P10636 10/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 10/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
VCAM1 P19320 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRB7 Q14451 1/20 0.34
CYP1A2 P05177 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
SCHEMBL9587993 1.00 RECQL (0.40) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9588185 0.96 RECQL (0.38) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9588178 0.96 RECQL (0.38) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL8529033 0.91 MMP14 (0.40) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL29360765 0.91 MMP14 (0.40) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9587724 0.90 RECQL (0.40) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9587722 0.90 RECQL (0.40) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9589257 0.88 MMP14 (0.35) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL9589261 0.88 MMP14 (0.35) RECQLMMP14MAPTNPC1RAB9A
SCHEMBL19486756 0.87 MMP14 (0.36) RECQLMMP14MAPTNPC1RAB9A

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-5234887-A Sheet coated with a phenyl azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed