SCHEMBL5677724

SCHEMBL5677724

N#Cc1cccc(N(N)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IDO1 P14902 1/20 0.38
NOTUM Q6P988 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37

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
SCHEMBL5253030 0.80 TSHR (0.44) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL6378412 0.78 TSHR (0.48) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL5839123 0.78 TSHR (0.52) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL16484545 0.78 TSHR (0.52) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL28200866 0.76 LOXL2 (0.44) ENPP2TSHRNOTUMLOXL2MAOB
SCHEMBL28103471 0.76 KCNN4 (0.40) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL151270 0.75 ALDH1A1 (0.48) ENPP2KCNN4KCNA5TSHRCLK4
SCHEMBL8650222 0.74 ALDH1A1 (0.53) ENPP2KCNN4KCNA5TSHRMEN1
SCHEMBL6300638 0.74 FFAR1 (0.47) ENPP2KCNN4KCNA5TSHRNOTUM
SCHEMBL28971640 0.73 TSHR (0.63) ENPP2TSHRCLK4NOTUMLOXL2

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-1622861-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2006-02-08 EP claimed
WO-2004101496-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2004-11-25 WO claimed
EP-1622861-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2006-02-08 EP disclosed
WO-2004101496-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2004-11-25 WO disclosed