SCHEMBL9176325

SCHEMBL9176325

C=C(C)C(=O)OCCN(CC)c1ccc(N=Nc2sc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 6/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MMP14 P50281 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 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
SCHEMBL10119041 0.89 MMP14 (0.33) MMP14ALDH1A1LMNA
SCHEMBL10119042 0.88 ALDH1A1 (0.41) HTTMAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL18211000 0.86 MMP14 (0.31) MMP14
SCHEMBL18210996 0.85 ALDH1A1 (0.38) HTTMAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL10119044 0.85 MMP14 (0.33) MAPTL3MBTL1SMN1; SMN2TDP1MAPK1
SCHEMBL9175096 0.82 HTT (0.45) HTTTP53MAPTL3MBTL1SMN1; SMN2
SCHEMBL18211003 0.82 MMP14 (0.32) MAPTL3MBTL1MMP14ALDH1A1LMNA
SCHEMBL4777142 0.82 HTT (0.45) HTTTP53MAPTL3MBTL1SMN1; SMN2
SCHEMBL2602717 0.81 MMP14 (0.47) HTTMAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL6932967 0.81 MMP14 (0.47) HTTMAPTL3MBTL1SMN1; SMN2TDP1

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