SCHEMBL7769786

SCHEMBL7769786

CCN(CCOc1ccc(S(=O)(=O)F)cc1)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 2/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PPARD Q03181 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL7769076 0.82 KCNH2 (0.38) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7769770 0.80 KCNH2 (0.36) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL30959749 0.80 MAPT (0.56) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL11434684 0.79 MAPT (0.52) MAPTMEN1KMT2AMAPK1TDP1
Hydrochloric Acid SCHEMBL30308941 0.78 MAPT (0.46) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL13825783 0.78 MAPT (0.48) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL31686402 0.77 MAPT (0.45) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7768401 0.76 MAOB (0.33) MAPTMAPK1TDP1NPC1RAB9A
SCHEMBL23259594 0.76 MAPT (0.46) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL22974892 0.76 MAPT (0.46) MAPTMEN1KMT2AMAPK1TDP1

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