SCHEMBL2939744

SCHEMBL2939744

N#Cc1cccc(C(N)N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.42
F2 P00734 1/20 0.42
TNF P01375 1/20 0.42
GSK3B P49841 2/20 0.42
CLK4 Q9HAZ1 1/20 0.41
IDO1 P14902 1/20 0.40
ADRA1D P25100 4/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GLA P06280 1/20 0.39
S1PR1 P21453 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
Ethylene SCHEMBL7173481 0.96 GRM4 (0.43) GRM4ENPP2TSHRF2TNF
SCHEMBL18977756 0.88 CLK4 (0.49) CLK4IDO1
SCHEMBL14686260 0.83 GRM4 (0.49) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL1002822 0.83 GLA (0.44) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL30554313 0.83 GLA (0.44) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL1719895 0.83 GLA (0.44) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL5861621 0.83 GLA (0.44) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL4083138 0.82 ENPP2 (0.47) GRM4ENPP2TSHRTNFGSK3B
Hydrochloric Acid SCHEMBL30291498 0.82 ADRA1D (0.44) GRM4ENPP2TSHRTNFGSK3B
SCHEMBL22927645 0.82 TSHR (0.48) GRM4ENPP2TSHRTNFGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017099516-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-15 WO disclosed
WO-2016072743-A1 A NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-12 WO disclosed
WO-2016013867-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 WO disclosed
EP-1394146-B1 Process for producing xylylenediamine MITSUBISHI GAS CHEMICAL CO (JP) 2010-01-06 EP disclosed
US-6894192-B2 Process for production of xylylenediamine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-05-17 US disclosed
EP-1394146-A1 Process for producing xylylenediamine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-03 EP disclosed
US-20040039232-A1 Process for production of xylylenediamine TINNERMAN PALNUT ENGINEERED PRODUCTS, LLC 2004-02-26 US disclosed