SCHEMBL5804069

SCHEMBL5804069

O=[PH](O)OCCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
KCNH3 Q9ULD8 2/20 0.36
EPHX1 P07099 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DRD4 P21917 1/20 0.35
F2 P00734 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
FFAR1 O14842 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5804071 0.85 MAPT (0.50) MAPTALDH1A1L3MBTL1KCNH3EPHX1
SCHEMBL28064849 0.81 MAPT (0.40) MAPTALDH1A1L3MBTL1EPHX1CA12
SCHEMBL29025199 0.74 MAPT (0.47) MAPTALDH1A1L3MBTL1KCNH3CA12
SCHEMBL3248804 0.73 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL11212433 0.73 MAPT (0.50) MAPTALDH1A1L3MBTL1EPHX1CYP1A2
SCHEMBL2817046 0.71 TDP1 (0.47) ALDH1A1L3MBTL1CA2CA9CYP3A4
SCHEMBL15577833 0.70 LMNA (0.51) MAPTALDH1A1L3MBTL1EPHX1CA12
SCHEMBL5950512 0.70 KDM4E (0.52) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7144517 0.70 MAPT (0.47) MAPTALDH1A1L3MBTL1CA12CA2
SCHEMBL8894563 0.70 MAPT (0.47) MAPTALDH1A1L3MBTL1EPHX1CYP1A2

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