SCHEMBL6382437

SCHEMBL6382437

C=Cc1ccccc1-n1c(N2CCN(C(=O)O)CC2)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2CC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL5719452 0.92 LMNA (0.39) LMNAALDH1A1NPSR1TSHRPOLB
SCHEMBL5719066 0.85 BACE1 (0.36) LMNAHTTADORA3MAOBTP53
SCHEMBL5719564 0.83 TSHR (0.38) LMNAALDH1A1NPSR1TSHRPOLB
SCHEMBL5718966 0.82 ALDH1A1 (0.46) LMNAALDH1A1NPSR1TSHRPOLB
SCHEMBL5719876 0.81 LMNA (0.45) LMNAALDH1A1NPSR1TSHRPOLB
SCHEMBL6409570 0.81 MAOB (0.38) LMNAALDH1A1NPSR1TSHRADORA3
SCHEMBL5719669 0.81 LMNA (0.37) LMNAALDH1A1NPSR1TSHRPOLB
SCHEMBL6424057 0.79 DPP4 (0.39) LMNAALDH1A1NPSR1TSHR
SCHEMBL5718924 0.78 BACE1 (0.41) LMNAHTTADORA3MAOBTP53
SCHEMBL5788736 0.78 LMNA (0.48) LMNAALDH1A1NPSR1TSHRPOLB

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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed