SCHEMBL7769770

SCHEMBL7769770

CCN(CCOc1ccc(S(=O)(=O)F)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 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
SCHEMBL11410032 0.82 MAPT (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11410007 0.82 MAPT (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12955462 0.81 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL21357364 0.81 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7769786 0.80 MAPT (0.40) KCNH2PPARGMAPTMEN1KMT2A
SCHEMBL7769076 0.79 KCNH2 (0.38) KCNH2PPARGMAPTMEN1KMT2A
SCHEMBL13361468 0.79 MMP14 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11591478 0.78 MMP14 (0.49) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL15756495 0.77 MMP14 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL15756496 0.77 MMP14 (0.39) MAPTMEN1KMT2AALDH1A1GAA

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed