SCHEMBL5013979

SCHEMBL5013979

COC(=O)c1ccc(Sc2ccc([AsH]C(=O)OC(C)(C)C)cc2)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
KDM4E B2RXH2 9/20 0.67
ALDH1A1 P00352 9/20 0.67
HPGD P15428 8/20 0.67
HSD17B10 Q99714 4/20 0.67
LMNA P02545 3/20 0.67
ALOX15 P16050 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MAPK1 P28482 2/20 0.67
NPSR1 Q6W5P4 2/20 0.62
GAA P10253 4/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL1455451 0.81 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL811455 0.78 MAPT (0.80) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1454782 0.77 MAPT (0.78) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17080167 0.74 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1455467 0.74 MAPT (0.72) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15227961 0.72 MAPT (0.85) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18381544 0.72 KDM4E (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6511279 0.70 KDM4E (0.66) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1454579 0.70 MAPT (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7360846 0.69 KDM4E (0.64) MAPTKDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed