Methane

Methane

SCHEMBL9696174

C.NOS(=O)(=O)c1ccccc1N

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CA9 Q16790 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA12 O43570 2/20 0.56
CA6 P23280 2/20 0.56
CYP2C9 P11712 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
HTR6 P50406 1/20 0.50
KYNU Q16719 2/20 0.40
TTR P02766 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7055443 0.98 GAA (0.60) GAACA9CA1CA2CA4
SCHEMBL7576202 0.82 GAA (0.62) GAACA9CA1CA2CA4
SCHEMBL1459150 0.78 GAA (0.58) GAACA9CA1CA2CA4
Ammonia Solution, Strong SCHEMBL27361883 0.77 GAA (0.56) GAACA9CA1CA2CA4
SCHEMBL28927817 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL29516284 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL8779870 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL534724 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL19834321 0.75 GAA (0.54) GAACA9CA1CA2CA4
Methane SCHEMBL18230300 0.75 CA2 (0.95) GAACA9CA1CA2CA4

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
US-5153303-A Polyimides prepared from disubstituted aromatic tetracarboxylic acid dianhydrides CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed