1-Methylimidazole

1-Methylimidazole

SCHEMBL9113348

Cn1ccnc1.N#CCC#N

nearest known ligand 0.65

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.65
NFKB1 P19838 1/20 0.65
HSD17B10 Q99714 1/20 0.65
QPCTL Q9NXS2 1/20 0.65
CYP19A1 P11511 8/20 0.40
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 2/20 0.37
TBXAS1 P24557 3/20 0.37
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
1-Methylimidazole SCHEMBL27765984 0.84 QPCT (0.75) QPCTNFKB1HSD17B10QPCTLCYP19A1
1-Methylimidazole SCHEMBL21819897 0.84
1-Methylimidazole SCHEMBL20490673 0.83
1-Methylimidazole SCHEMBL28424284 0.83 NFKB1 (0.94) QPCTNFKB1HSD17B10QPCTLCYP19A1
1-Methylimidazole SCHEMBL1644312 0.82
1-Methylimidazole SCHEMBL15575884 0.82 QPCT (0.71) QPCTNFKB1HSD17B10QPCTLCYP19A1
1-Methylimidazole SCHEMBL28201777 0.81
1-Methylimidazole SCHEMBL4954973 0.81
1-Methylimidazole SCHEMBL9244221 0.81 NFKB1 (1.00) QPCTNFKB1HSD17B10QPCTLCYP19A1
1-Methylimidazole SCHEMBL20112 0.81

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
WO-1995011319-A1 GOLD LIXIVIATION USING NITROGEN AND SULFUR HETEROCYCLIC AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-27 WO disclosed