SCHEMBL9807345

SCHEMBL9807345

O=S(=O)(CCO)[N]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
F2 P00734 2/20 0.40
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 6/20 0.37
CA13 Q8N1Q1 1/20 0.37
TSHR P16473 2/20 0.36
CA1 P00915 3/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.34
ELANE P08246 1/20 0.34
PRTN3 P24158 1/20 0.34

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
SCHEMBL6379332 0.79 PSIP1 (0.40) PRSS1PRSS2PRSS3F2POLB
SCHEMBL6380236 0.76 TDP1 (0.41) TDP1TSHRMMP13MMP1MMP9
SCHEMBL2911477 0.76 NPSR1 (0.47) PRSS1PRSS2PRSS3F2POLB
SCHEMBL6378855 0.75 MMP9 (0.40) TDP1MMP13MMP1MMP2MMP9
SCHEMBL11210092 0.73 MMP9 (0.43) MMP13MMP1MMP2MMP9MMP8
SCHEMBL6379705 0.73 MMP9 (0.43) MMP13MMP1MMP2MMP9MMP8
SCHEMBL158853 0.72 POLB (0.52) PRSS1PRSS2PRSS3F2POLB
SCHEMBL11209270 0.71 POLB (0.47) PRSS1PRSS2PRSS3F2POLB
SCHEMBL8801626 0.69 ALDH1A1 (0.36) PRSS1PRSS2PRSS3F2POLB
SCHEMBL10482000 0.68 CA1 (0.50) PRSS1PRSS2PRSS3F2POLB

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
US-5021557-A Copper-containing formazan dye, colorfast blue shades on cellulose CIBA-GEIGY CORPORATION (US) 1991-06-04 US claimed