SCHEMBL5963510

SCHEMBL5963510

N#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.53
NOTUM Q6P988 1/20 0.50
PGR P06401 2/20 0.49
PRKDC P78527 1/20 0.48
IDO1 P14902 2/20 0.46
MAOB P27338 1/20 0.46
GRM5 P41594 1/20 0.44
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
ADRA2C P18825 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL18551786 0.87 CLK4 (0.46) CLK4NOTUMPGRPRKDCIDO1
SCHEMBL5225217 0.87 CLK4 (0.46) CLK4NOTUMPGRPRKDCIDO1
SCHEMBL18539955 0.84 CLK4 (0.44) CLK4NOTUMPGRPRKDCIDO1
SCHEMBL14450253 0.83 ALDH1A1 (0.56) CLK4NOTUMPGRPRKDCXDH
SCHEMBL4187933 0.83 GRM5 (0.49) CLK4NOTUMIDO1GRM5GABRA1
SCHEMBL4190998 0.83 GRM5 (0.70) CLK4GRM5
SCHEMBL2154026 0.82 CLK4 (0.65) CLK4NOTUMPGRIDO1MAOB
SCHEMBL3739232 0.82 NR4A1 (0.61) XDHSLC22A12
SCHEMBL13078467 0.81 C3AR1 (0.49) PGRPRKDCXDHSLC22A12
SCHEMBL27787243 0.80 CLK4 (0.63) CLK4NOTUMPGRIDO1MAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143959-B1 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES UNIV NORTH CAROLINA (US) 2006-11-02 EP disclosed
EP-1685836-A2 Antifungal activity of dicationic molecules UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-08-02 EP disclosed
US-6326395-B1 AMIDINE OR AMIDE SUBSTITUTED FURAN DERIVATIVES DUKE UNIVERSITY 2001-12-04 US disclosed
EP-1143959-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-10-17 EP disclosed
WO-2000015212-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-03-23 WO disclosed
US-6020488-A Small molecule inhibition of RNA/ligand binding SCRIPTGEN PHARMACEUTICALS INC. (US) 2000-02-01 US disclosed
EP-0833824-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1998-04-08 EP disclosed
US-5668165-A TREATMENT OF HIV INFECTIONS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-16 US disclosed
WO-1996040668-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed