SCHEMBL5216260

SCHEMBL5216260

CCOC(=O)C1=Nc2ccc(OC)cc2C1=[N+]=[N-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
LMNA P02545 2/20 0.67
HTT P42858 2/20 0.67
HSP90AA1 P07900 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
PPARG P37231 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PDE4D Q08499 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6594697 0.83 MAPT (0.65) MAPTLMNAHTTHSP90AA1SMN1; SMN2
SCHEMBL2350732 0.81 MAPT (1.00) MAPTLMNAHTTHSP90AA1SMN1; SMN2
SCHEMBL2806738 0.81 MAPT (1.00) MAPTLMNAHTTHSP90AA1SMN1; SMN2
Acetic Acid SCHEMBL7467661 0.78 MAPT (0.92) MAPTLMNAHTTHSP90AA1SMN1; SMN2
SCHEMBL10515648 0.70 KDM4E (0.44) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL31028249 0.68 L3MBTL1 (0.52) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL1143122 0.68 KDM4E (0.46) MAPTLMNAHTTSMN1; SMN2KDM4E
SCHEMBL3481145 0.67 HPGD (0.58) MAPTLMNAHTTSMN1; SMN2KDM4E
SCHEMBL8911562 0.66 POLB (0.40) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL28275232 0.65 HPGD (0.60) MAPTLMNAHTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
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