SCHEMBL20107983

SCHEMBL20107983

COc1cc(N)ccc1OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.50
INPP5A Q14642 4/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
AKT1 P31749 1/20 0.47
INPP5B P32019 2/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NR4A1 P22736 1/20 0.45
USP2 O75604 1/20 0.43
CYP19A1 P11511 2/20 0.42
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL14403284 0.80 ACHE (0.61) INPPL1INPP5AMAPTALDH1A1KDM4E
SCHEMBL30433430 0.79 INPPL1 (0.52) INPPL1INPP5AMAPTALDH1A1KDM4E
SCHEMBL1771611 0.79 INPPL1 (0.52) INPPL1INPP5AMAPTALDH1A1KDM4E
SCHEMBL29188146 0.79 INPPL1 (0.52) INPPL1INPP5AMAPTGAAALDH1A1
SCHEMBL31318320 0.79 INPPL1 (0.56) INPPL1INPP5AMAPTGAAALDH1A1
Hydroxyamine SCHEMBL4369811 0.78 KDM4E (0.62) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL2438047 0.78 KDM4E (0.67) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL77823 0.78 KDM4E (0.67) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL29377777 0.78 KDM4E (0.67) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL20107845 0.76 INPPL1 (0.52) INPPL1INPP5AALDH1A1KDM4EAKT1

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 3 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
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