SCHEMBL9515567

SCHEMBL9515567

CCCCS(=O)(=O)Nc1ccc(COC(C)=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NAMPT P43490 1/20 0.42
HSD17B10 Q99714 1/20 0.41
THRA P10827 1/20 0.40
NPR3 P17342 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
KIT P10721 3/20 0.39
CCR4 P51679 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9517931 0.82 AR (0.46) ARHPGDLMNAALDH1A1KDM4E
SCHEMBL9516196 0.82 GABRA5 (0.50) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL9518150 0.77 MEN1 (0.47) ARALDH1A1GAAMAPTMEN1
SCHEMBL8170006 0.73 ALDH1A1 (0.46) LMNAALDH1A1MAPTKMT2A
SCHEMBL9517133 0.73 GABRA5 (0.42) HPGDLMNAGAASMN1; SMN2
SCHEMBL9516086 0.71 GABRA5 (0.41) HPGDLMNASMN1; SMN2HTTKMT2A
SCHEMBL5293554 0.71 HPGD (0.59) ARHPGDLMNAALDH1A1KDM4E
SCHEMBL8869019 0.71 HPGD (0.44) ARHPGDLMNAALDH1A1KDM4E
SCHEMBL8869499 0.71 AR (0.42) ARHPGDLMNAALDH1A1KDM4E
SCHEMBL8870309 0.71 CA12 (0.42) ARHPGDLMNAALDH1A1KDM4E

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed