SCHEMBL7768063

SCHEMBL7768063

C=CCN(CC=C)c1cc(N)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.40
NQO2 P16083 1/20 0.39
NR4A1 P22736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
AR P10275 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL22474145 0.89 MAPT (0.46) CYP19A1MAPTKDM4EGAATSHR
SCHEMBL10939588 0.81 NPSR1 (0.52) MAPTTSHRALDH1A1PPARGPPARD
SCHEMBL1413112 0.81 GAA (0.51) CYP19A1MAPTKDM4EGAATSHR
SCHEMBL2786924 0.79 PRKCI (0.31)
SCHEMBL19610488 0.77 PTPN1 (0.45) KDM4EGAATSHRALDH1A1PPARG
Ammonia Solution, Strong SCHEMBL5992940 0.77 PRKCI (0.30)
SCHEMBL7891011 0.77 CYP19A1 (0.44) CYP19A1MAPTKDM4EGAATSHR
SCHEMBL29499603 0.75 CASP1 (0.34) MAPTKDM4EGAATSHRMAPK1
SCHEMBL2221665 0.75 CASP1 (0.34) MAPTKDM4EGAATSHRMAPK1
SCHEMBL1640545 0.74 APP (0.56) CYP19A1MAPTKDM4EGAATSHR

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