SCHEMBL13568628

SCHEMBL13568628

CCC([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
ABCB11 O95342 1/20 0.49
CYP17A1 P05093 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PTGS2 P35354 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
CYP8B1 Q9UNU6 1/20 0.49
DGAT1 O75907 5/20 0.48
DRD2 P14416 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL20194400 1.00 MAPT (0.76) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL26212871 1.00 MAPT (0.76) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL12067678 0.88 MAPT (0.77) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL12315830 0.88 MAPT (0.63) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL20639674 0.87 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL9284781 0.86 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL3120176 0.86 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2548018 0.86 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL6750794 0.86 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL6750795 0.86 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GAAKDM4E

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
US-7625898-B2 Posaconazole polymer conjugates and methods of treatment using posaconazole and polymer conjugates thereof ENZON PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed