SCHEMBL9170684

SCHEMBL9170684

C=C(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C(=O)OCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 5/20 0.36
TP53 P04637 3/20 0.36
MMP14 P50281 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 10/20 0.33
ALDH1A1 P00352 7/20 0.33
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
POLB P06746 3/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PSMD14 O00487 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 3/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9170687 1.00 L3MBTL1 (0.37) L3MBTL1ATMHTTTP53MMP14
SCHEMBL9172229 0.92 MMP14 (0.38) L3MBTL1ATMHTTTP53MMP14
SCHEMBL9172222 0.92 MMP14 (0.38) L3MBTL1ATMHTTTP53MMP14
SCHEMBL4777142 0.90 HTT (0.45) L3MBTL1ATMHTTTP53MMP14
SCHEMBL9175096 0.90 HTT (0.45) L3MBTL1ATMHTTTP53MMP14
SCHEMBL10039826 0.85 MAPT (0.39) L3MBTL1ATMHTTTP53MMP14
SCHEMBL14254879 0.85 MAPT (0.39) L3MBTL1ATMHTTTP53MMP14
SCHEMBL6932967 0.85 MMP14 (0.47) L3MBTL1ATMHTTMMP14SMN1; SMN2
SCHEMBL2602717 0.85 MMP14 (0.47) L3MBTL1ATMHTTMMP14SMN1; SMN2
SCHEMBL9174065 0.84 L3MBTL1 (0.38) L3MBTL1ATMHTTTP53MMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474402-B1 Chromophore-containing compounds for opto-electronic applications ICI PLC (GB) 1995-05-24 EP disclosed
US-5290630-A Chromophore-containing compounds for opto-electronic applications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-01 US disclosed
EP-0474402-A2 Chromophore-containing compounds for opto-electronic applications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed