SCHEMBL20107570

SCHEMBL20107570

O=P(O)(O)Oc1ccc(NCCCS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.40
SRC P12931 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
INPPL1 O15357 3/20 0.36
INPP5A Q14642 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PRSS1 P07477 6/20 0.35
F2 P00734 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL917492 0.80 GAA (0.59) CA1CA2GAAMAPTCA12
SCHEMBL20315398 0.80 BLM (0.50) BLMSRCCA1CA2GAA
SCHEMBL21389877 0.76 BLM (0.53) BLMSRCCA1CA2INPPL1
SCHEMBL917966 0.76 MEN1 (0.44) CA1CA2PRSS1F2PRSS2
SCHEMBL917583 0.76 ALDH1A1 (0.46) BLMCA1CA2GAAMAPT
SCHEMBL917777 0.74 CYP2D6 (0.51) CA1CA2MAPTPRSS1F2
SCHEMBL9852004 0.74 MAPT (0.55) CA1CA2GAAMAPTPRSS1
SCHEMBL246721 0.74 ALDH1A1 (0.59) CA1CA2MAPTPRSS1F2
SCHEMBL20107974 0.73 BLM (0.40) BLMSRCCA1CA2INPPL1
SCHEMBL14369512 0.73 BLM (0.45) BLMSRCCA1CA2INPPL1

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
US-20180180567-A1 MICROWELL ELECTRODE AND METHOD FOR ANALYSIS OF A CHEMICAL SUBSTANCE BGI SHENZHEN (CN) 2018-06-28 US disclosed
EP-3315461-A1 MICRO-POROUS ELECTRODE AND METHOD FOR ANALYSIS OF CHEMICAL SUBSTANCES BGI Shenzhen (CN) 2018-05-02 EP disclosed