SCHEMBL6080768

SCHEMBL6080768

CC(=O)OC[C@H]1O[C@@H](n2c3c(c4cccnc42)C2C(=O)N(C)C(=O)C2n2ccnc2-3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCA P17252 2/20 0.39
AKT1 P31749 2/20 0.39
PTK2 Q05397 2/20 0.39
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.38
HIF1A Q16665 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
SCHEMBL6080408 0.88 ALDH1A1 (0.41) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL6081485 0.73 TGM2 (0.42) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5879169 0.70 ALDH1A1 (0.46) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5879211 0.70 ALDH1A1 (0.43) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5828121 0.69 LMNA (0.46) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL6081007 0.69 GALR3 (0.40) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5879130 0.69 LMNA (0.45) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL6197547 0.68 LMNA (0.47) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5827662 0.68 PRKCA (0.49) TGM2ALDH1A1KDM4EMAPTHPGD
SCHEMBL6081330 0.66 LMNA (0.42) TGM2ALDH1A1KDM4EMAPTHPGD

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