SCHEMBL9587722

SCHEMBL9587722

COC(=O)OCCN(CCOC(=O)OC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.36
MAPT P10636 7/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP14 P50281 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDR P35968 1/20 0.33
GRIN2D O15399 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
SCHEMBL9587724 1.00 RECQL (0.40) RECQLGLAMAPTKMT2AMEN1
SCHEMBL30954894 0.91 RECQL (0.39) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9005022 0.91 RECQL (0.39) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9005020 0.91 RECQL (0.39) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9587995 0.90 RECQL (0.40) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9587993 0.90 RECQL (0.40) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9588185 0.86 RECQL (0.38) RECQLGLAMAPTKMT2AMEN1
SCHEMBL9588178 0.86 RECQL (0.38) RECQLGLAMAPTKMT2AMEN1
SCHEMBL29710755 0.85 MAPT (0.50) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL9094284 0.84 KDR (0.38) MAPTKMT2AMEN1TDP1LMNA

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