Nitrogen

Nitrogen

SCHEMBL28864896

CC(=O)Nc1ccc(N)cc1.N#N

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.70
CYP2C19 P33261 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59

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
SCHEMBL92049 0.96 PKM (0.75) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Hydrochloric Acid SCHEMBL4819296 0.93 PKM (0.72) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Butanedione SCHEMBL28079168 0.91 PKM (0.70) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Acetic Acid SCHEMBL11760222 0.91 PKM (0.70) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Bicarbonate SCHEMBL11481005 0.91 PKM (0.70) PKMCYP2C19SMN1; SMN2MAPTRAB9A
SCHEMBL9480020 0.89 MAPT (0.68) PKMCYP2C19SMN1; SMN2MAPTRAB9A
SCHEMBL3225408 0.89 SMN1; SMN2 (0.79) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Sulfur Dioxide SCHEMBL29118272 0.88 PKM (0.66) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Acetaminophen SCHEMBL22518940 0.88 ALDH1A1 (0.80) PKMCYP2C19SMN1; SMN2MAPTRAB9A
Succinic Acid SCHEMBL11588920 0.84 PKM (0.62) PKMCYP2C19SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113388261-B Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2022-09-20 CN claimed
CN-108997773-B Synthesis method of disperse yellow dye 浙江闰土研究院有限公司 2020-05-01 CN disclosed
CN-108997773-B Synthesis method of disperse yellow dye 浙江闰土研究院有限公司 2020-05-01 CN disclosed