SCHEMBL7460180

SCHEMBL7460180

[N-]=[N+]=C1C(C(=O)O)=Nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HSP90AA1 P07900 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HK1 P19367 1/20 0.32
GALK1 P51570 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7460200 1.00 LMNA (0.62) LMNAHSP90AA1MAPTHTTSMN1; SMN2
Acetic Acid SCHEMBL7467661 0.77 MAPT (0.92) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL27848261 0.74 MAPT (0.46) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL18493810 0.74 MAPT (0.49) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL18229432 0.73 MAPT (0.45) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL6651141 0.73 MAPT (0.38) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL5812357 0.70 MAPT (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL28426030 0.70 LMNA (0.46) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL7460194 0.68 LMNA (0.43) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL7576472 0.68 PLK1 (0.43) LMNAHSP90AA1MAPTHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed