SCHEMBL28521918

SCHEMBL28521918

Cc1cc(C)c(S(=O)(=O)O)c(C)c1.Nc1ccc[n+](N)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ RAPGEF4 Q8WZA2 5/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYTH2 Q99418 1/20 0.35

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
SCHEMBL28516880 0.75 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28785424 0.75 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5230088 0.74 RAPGEF4 (0.42) F2PRSS1PRSS2PRSS3CA1
Hydroxyamine SCHEMBL259333 0.74 CA1 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23788 0.74 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10846507 0.74 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7930818 0.74 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
Ammonia Solution, Strong SCHEMBL5999943 0.74 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5232759 0.73 RAPGEF4 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5234368 0.73 LMNA (0.41) F2PRSS1PRSS2PRSS3CA1

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-109776522-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2020-12-29 — — CN disclosed
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