SCHEMBL28048374

SCHEMBL28048374

O=C=NCc1cccc(CN=C=O)c1.[H+]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.46
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
NOS1 P29475 3/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NFKB1 P19838 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL5465655 0.98 MIF (0.47) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26785 0.98 MIF (0.47) MIFGRIN2DGRIN3BGRIN1GRIN2A
Water SCHEMBL14972890 0.95 MIF (0.46) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22471928 0.95 MIF (0.46) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6437951 0.93 MIF (0.44) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27155265 0.91 MIF (0.43) MIFGRIN2DGRIN3BGRIN1GRIN2A
Cyclohexane SCHEMBL28419555 0.91 MIF (0.43) MIFGRIN2DGRIN3BGRIN1GRIN2A
Chloromethane SCHEMBL15655633 0.91 MIF (0.43) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17164086 0.91 MIF (0.43) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19976123 0.90 MIF (0.42) MIFGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339340-A Base generator, base-reactive composition containing said base generator, and base generation method WAKO PURE CHEM IND LTD 2016-02-17 CN disclosed