Nitrogen

Nitrogen

SCHEMBL28637787

COc1ccc(S(=O)(=O)O)cc1.N#N

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 1/20 0.55
PKLR P30613 1/20 0.55
RAB9A P51151 1/20 0.55
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL286762 0.96 PKM (0.67) PKMCA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL1328452 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
SCHEMBL8627561 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
Hydrogen Sulfide SCHEMBL27655402 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
Fluoride SCHEMBL27786941 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
Ammonia Solution, Strong SCHEMBL25386463 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
SCHEMBL10497952 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
Water SCHEMBL8627002 0.93 PKM (0.64) PKMCA1CA2MMP1MMP2
Ethylene SCHEMBL28422227 0.91 PKM (0.61) PKMCA1CA2MMP1MMP2
SCHEMBL2947753 0.89 PKM (0.59) PKMCA1CA2MMP1MMP2

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-113502067-A Preparation method of direct blending dye 浙江闰土染料有限公司 2021-10-15 CN claimed
CN-113502067-A Preparation method of direct blending dye 浙江闰土染料有限公司 2021-10-15 CN disclosed
CN-113502067-A Preparation method of direct blending dye 浙江闰土染料有限公司 2021-10-15 CN disclosed