SCHEMBL5804071

SCHEMBL5804071

O=[PH](OCCNc1ccccc1)OCCNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
KCNH3 Q9ULD8 2/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DRD4 P21917 1/20 0.37
F2 P00734 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 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
SCHEMBL5804069 0.85 MAPT (0.47) MAPTALDH1A1L3MBTL1KCNH3CA12
SCHEMBL3248804 0.76 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL27850635 0.73 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1KCNH3MEN1
SCHEMBL4859876 0.72 MAPT (0.56) MAPTALDH1A1L3MBTL1KCNH3CA12
SCHEMBL632952 0.72 KCNH3 (0.62) MAPTALDH1A1L3MBTL1KCNH3
SCHEMBL232188 0.72 MAPT (0.78) MAPTALDH1A1L3MBTL1CA12CA2
SCHEMBL8579894 0.72 MAPT (0.50) MAPTALDH1A1L3MBTL1KCNH3CA12
SCHEMBL28842598 0.72 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1KCNH3CA12
SCHEMBL11212433 0.72 MAPT (0.50) MAPTALDH1A1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7054142 0.71 MAPT (0.54) MAPTALDH1A1L3MBTL1KCNH3F2

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
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed