SCHEMBL15625331

SCHEMBL15625331

COc1cc(N)ccc1N(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 3/20 0.46
NR4A1 P22736 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.42
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP19A1 P11511 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NQO2 P16083 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.36
MAOB P27338 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL224141 0.82 MAPT (0.52) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL30828566 0.82 MAPT (0.52) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL9772369 0.80 ALDH1A1 (0.47) MAPTALDH1A1GAAMAPK1TSHR
Hydrochloric Acid SCHEMBL30828603 0.80 MAPT (0.50) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL6081370 0.77 GAA (0.52) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL11413201 0.77 ALDH1A1 (0.51) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL14831731 0.77 MAPT (0.47) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL14320992 0.75 MAPT (0.46) MAPTALDH1A1GAAMAPK1TSHR
Hydrochloric Acid SCHEMBL14833948 0.75 GAA (0.46) MAPTALDH1A1GAAMAPK1TSHR
SCHEMBL13514315 0.74 CYP19A1 (0.46) MAPTALDH1A1GAAMAPK1TSHR

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-20140083853-A1 ELECTROCHEMICAL SENSORS ISIS INNOVATION LTD. (GB) 2014-03-27 US disclosed
US-20140083853-A1 ELECTROCHEMICAL SENSORS ISIS INNOVATION LTD. (GB) 2014-03-27 US disclosed