SCHEMBL29198060

SCHEMBL29198060

Cc1cc(N)c(CS(=O)(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.41
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PTGS2 P35354 2/20 0.33
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL8934135 0.77 NOS3 (0.53) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL23500860 0.76 ACP1 (0.34) UHRF1PTGS2
SCHEMBL10330646 0.76 UHRF1 (0.48) UHRF1NOS3NOS1NOS2LMNA
SCHEMBL28198255 0.74 UHRF1 (0.50) UHRF1NOS3NOS1NOS2LMNA
SCHEMBL23718279 0.72 LMNA (0.53) LMNAALDH1A1KDM4E
SCHEMBL25908641 0.69 UHRF1 (0.45) UHRF1NOS3NOS1NOS2LMNA
SCHEMBL114264 0.67 ALDH1A1 (0.50) LMNAALDH1A1CASP1HSD17B10KDM4E
SCHEMBL190799 0.67 TSHR (0.46) LMNAALDH1A1CASP1HSD17B10KDM4E
SCHEMBL27472009 0.67 ALDH1A1 (0.41) ALDH1A1CASP1HSD17B10
SCHEMBL7723010 0.67 UHRF1 (0.42) UHRF1NOS3NOS1NOS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117705993-A Method for detecting sulfur-cured bamboo shoots based on sulfhydryl and adenosine and application 西华大学 2024-03-15 CN disclosed
CN-117665170-A Method for screening sulfur-free markers of fresh bamboo shoots and VB 1-based metabolite detection method thereof 西华大学 2024-03-08 CN disclosed