SCHEMBL20107974

SCHEMBL20107974

O=P(O)(O)Oc1ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.40
SRC P12931 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
INPPL1 O15357 4/20 0.36
INPP5A Q14642 3/20 0.36
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 3/20 0.30
LMNA P02545 3/20 0.30
POLB P06746 2/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 2/20 0.30
GMNN O75496 2/20 0.30
THPO P40225 2/20 0.30
HIF1A Q16665 2/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
BRCA1 P38398 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
SCHEMBL20315400 0.80 BLM (0.50) BLMSRCCA1CA2INPPL1
SCHEMBL4292409 0.78 SRC (0.47) BLMSRCCA1CA2INPPL1
SCHEMBL356422 0.75 CNR2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL13086215 0.74 CNR2 (0.41) CA2CYP2C19ALDH1A1RAB9AMAPT
SCHEMBL4443205 0.74 CYP2D6 (0.44) CA1CA2CYP2C19ALDH1A1LMNA
SCHEMBL9347243 0.74 LTA4H (0.38) LTA4HSMN1; SMN2CYP2C19ALDH1A1LMNA
SCHEMBL27516740 0.73 CNR2 (0.50) SMN1; SMN2CYP2C19ALDH1A1POLBMAPT
SCHEMBL20107570 0.73 BLM (0.40) BLMSRCCA1CA2INPPL1
SCHEMBL244232 0.73 CNR2 (0.35) SMN1; SMN2CYP2C19ALDH1A1LMNAMAPT
SCHEMBL3452805 0.72 CNR2 (0.35) SMN1; SMN2CYP2C19ALDH1A1LMNACNR2

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