SCHEMBL8070978

SCHEMBL8070978

CCCCCN(C#N)C(=N)N.[KH]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DNM1 Q05193 3/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1205488 0.98 SPHK2 (0.39) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL1937313 0.96 SPHK2 (0.42) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL1937656 0.96 SPHK2 (0.42) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL4465867 0.96 SPHK2 (0.42) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL1938682 0.96 SPHK2 (0.42) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL1937984 0.96 SPHK2 (0.42) SPHK2SPHK1ZDHHC20ZDHHC2NOS3
SCHEMBL20361795 0.92 GRIN2D (0.37) SPHK2SPHK1NOS3NOS1NOS2
SCHEMBL9235649 0.86
SCHEMBL1505132 0.86
SCHEMBL19371464 0.84

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-0792291-B1 PROTEIN AFFECTING KATP CHANNELS UPJOHN CO (US) 2000-09-20 EP disclosed
US-5925742-A GLYCOPROTEIN OF 54,000 TO 60,000 DALTONS FROM RAT CELLS AND CAPABLE OF BINDING N-(3-AZIDO-5-IODOPHENYL)-N'-CYANO-N''-(1,1-DIMETHYLPROPYL)-GUANIDINE; MODULATORS OF ADENOSINE TRIPHOSPHATE SENSITIVE POTASSIUM CHANNELS PHARMACIA & UPJOHN COMPANY (US) 1999-07-20 US disclosed
US-5856449-A GLYCOPROTEIN PHARMACIA & UPJOHN COMPANY (US) 1999-01-05 US disclosed
US-5525742-A IDENTIFICATION OF BIOCHEMICAL COMPONENTS FORMING ATP-SENSITIVE POTASSIUM CHANNELS IN SMOOTH MUSCLE CELLS THE UPJOHN COMPANY (US) 1996-06-11 US disclosed