SCHEMBL4719615

SCHEMBL4719615

COc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GHSR Q92847 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
F10 P00742 2/20 0.31
HTR1A P08908 2/20 0.31
F2 P00734 1/20 0.31
SYK P43405 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL4719871 0.93 SLC40A1 (0.33) SLC40A1MAPTLMNASYK
SCHEMBL4722421 0.93 SLC40A1 (0.33) SLC40A1MAPTLMNASYK
SCHEMBL4719872 0.93 SLC40A1 (0.33) SLC40A1MAPTLMNASYK
SCHEMBL4723974 0.92 SLC40A1 (0.33) SLC40A1PDE4A
SCHEMBL4723970 0.92 SLC40A1 (0.33) SLC40A1PDE4A
SCHEMBL4723905 0.92 SLC40A1 (0.33) SLC40A1
SCHEMBL4723899 0.92 SLC40A1 (0.33) SLC40A1
SCHEMBL4719012 0.86 SLC40A1 (0.33) SLC40A1
SCHEMBL4719010 0.86 SLC40A1 (0.33) SLC40A1
SCHEMBL4720512 0.81 SLC40A1 (0.35) SLC40A1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed