SCHEMBL6081007

SCHEMBL6081007

CC(=O)OC[C@H]1O[C@@H](n2c3ncccc3c3c4c(n5cncc5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
PRKCA P17252 1/20 0.39
AKT1 P31749 1/20 0.39
PTK2 Q05397 1/20 0.39
TGM2 P21980 1/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 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
SCHEMBL6081485 0.89 TGM2 (0.42) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5828121 0.82 LMNA (0.46) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5827662 0.81 PRKCA (0.49) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5828918 0.78 PRKCA (0.41) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5879169 0.76 ALDH1A1 (0.46) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5828608 0.75 PRKCA (0.49) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5828420 0.75 LMNA (0.43) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL6080408 0.74 ALDH1A1 (0.41) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5827642 0.74 PRKCA (0.43) GALR3ALDH1A1KDM4EHPGDMAPT
SCHEMBL5828476 0.71 PRKCA (0.54) GALR3ALDH1A1LMNASMN1; SMN2THRB

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-20060004428-A1 Pyrrolo (3,4-c) carbazole and pyrido (2,3-b) pyrrolo (3,4-e) indole derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed