SCHEMBL5828476

SCHEMBL5828476

CC(=O)OC[C@H]1O[C@@H](n2c3ccncc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.54
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
GALR3 O60755 1/20 0.42
AKT1 P31749 1/20 0.40
PTK2 Q05397 1/20 0.40
PRKCQ Q04759 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TOP1 P11387 5/20 0.39
CHEK1 O14757 1/20 0.38
ROCK2 O75116 1/20 0.38
TSHR P16473 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL5827662 0.88 PRKCA (0.49) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828608 0.87 PRKCA (0.49) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828121 0.82 LMNA (0.46) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL6729840 0.81 PRKCA (0.55) PRKCAPRKCQTOP1CHEK1ROCK2
SCHEMBL5827642 0.81 PRKCA (0.43) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828918 0.81 PRKCA (0.41) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828557 0.80 PRKCA (0.44) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828683 0.79 PRKCA (0.84) PRKCAPRKCQTOP1
SCHEMBL5828079 0.78 GALR3 (0.40) PRKCALMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828937 0.78 GALR3 (0.40) PRKCALMNATHRBSMN1; SMN2HIF1A

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-7001906-B2 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2006-02-21 US disclosed