SCHEMBL7769076

SCHEMBL7769076

CCN(CCOc1ccc(S(=O)(=O)F)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7769152 0.89 MAPT (0.44) KCNH2MAPTALDH1A1KMT2AMEN1
SCHEMBL8722711 0.86 MAPT (0.42) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL7769786 0.82 MAPT (0.40) KCNH2MAPTALDH1A1KMT2AMEN1
SCHEMBL11699257 0.82 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL11699264 0.82 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL11591735 0.80 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL31686402 0.79 MAPT (0.45) KCNH2MAPTALDH1A1KMT2AMEN1
SCHEMBL7769770 0.79 KCNH2 (0.36) KCNH2MAPTALDH1A1KMT2AMEN1
SCHEMBL13178025 0.78 KMT2A (0.36) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL9493420 0.78 MAPT (0.38) MAPTALDH1A1KMT2AMEN1MAPK1

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