SCHEMBL4777142

SCHEMBL4777142

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
MYC P01106 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9175096 1.00 HTT (0.45) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL9170687 0.90 L3MBTL1 (0.37) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL9170684 0.90 L3MBTL1 (0.37) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL14254879 0.89 MAPT (0.39) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL10039826 0.89 MAPT (0.39) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL6932967 0.88 MMP14 (0.47) HTTMMP14ALDH1A1SMN1; SMN2TDP1
SCHEMBL2602717 0.88 MMP14 (0.47) HTTMMP14ALDH1A1SMN1; SMN2TDP1
SCHEMBL9172224 0.88 HTT (0.45) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL9172233 0.88 HTT (0.45) HTTTP53MMP14ALDH1A1SMN1; SMN2
SCHEMBL9172229 0.88 MMP14 (0.38) HTTTP53MMP14ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017318-A1 OPTICAL DEVICE AND POLYMER MATERIAL WITH NONLINEAR OPTICAL PROPERTIES PIRELLI & C. S.P.A. (IT) 2008-02-14 WO disclosed
US-5496899-A Crosslinkable polymer material which may be used in non-linear optics and process for obtaining it FRANCE TELECOM (FR) 1996-03-05 US disclosed
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