SCHEMBL6594697

SCHEMBL6594697

CCOC(=O)C1=Nc2ccc(OCc3ccccc3)cc2C1=[N+]=[N-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
HSP90AA1 P07900 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HIF1A Q16665 1/20 0.65
PPARG P37231 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GABRA1 P14867 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
MAOB P27338 2/20 0.45
NMT1 P30419 4/20 0.45
NMT2 O60551 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL2806738 0.79 MAPT (1.00) MAPTHSP90AA1LMNAHTTSMN1; SMN2
Acetic Acid SCHEMBL7467661 0.79 MAPT (0.92) MAPTHSP90AA1LMNAHTTSMN1; SMN2
SCHEMBL22438915 0.70 MEN1 (0.65) HSP90AA1LMNAHTTPPARGMEN1
SCHEMBL11589577 0.70 MEN1 (0.65) MAPTHSP90AA1LMNAPPARGMEN1
SCHEMBL340618 0.69 MAOB (0.67) MAPTLMNAHTTSMN1; SMN2PPARG
SCHEMBL1488776 0.69 MEN1 (0.63) HSP90AA1LMNAHTTPPARGMEN1
SCHEMBL4816779 0.69 MEN1 (0.63) MAPTHSP90AA1LMNAPPARGMEN1
SCHEMBL5233589 0.69 MEN1 (0.63) HSP90AA1LMNAPPARGMEN1KMT2A
SCHEMBL10468397 0.69 MEN1 (0.63) HSP90AA1LMNAPPARGMEN1KMT2A
SCHEMBL340106 0.68 MAOB (0.69) MAPTHSP90AA1SMN1; SMN2MEN1KMT2A

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-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed