SCHEMBL9516131

SCHEMBL9516131

CCCCOc1ccc(C(O)CCCS(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
MMP1 P03956 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
STAT3 P40763 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.37
MAPK1 P28482 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 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
SCHEMBL9516886 0.90 MMP1 (0.40) MMP1SMN1; SMN2LMNASTAT3GAA
SCHEMBL9517219 0.86 GABRA5 (0.38) GABRA5MMP1SMN1; SMN2LMNASTAT3
SCHEMBL9518016 0.85 MEN1 (0.38) GABRA5GAA
SCHEMBL9515897 0.85 EGFR (0.42) GABRA5ADRB2ADRB1ADRB3PPARG
SCHEMBL9516300 0.83 GABRA5 (0.48) GABRA5SMN1; SMN2GAAHPGDALDH1A1
SCHEMBL9516030 0.83 GABRA5 (0.44) GABRA5MMP1SMN1; SMN2PPARG
SCHEMBL9515974 0.82 HIF1A (0.39)
SCHEMBL9517984 0.81 GABRA5 (0.42) GABRA5MMP1SMN1; SMN2LMNASTAT3
SCHEMBL9519314 0.81 EGFR (0.37) GABRA5ADRB2ADRB1ADRB3PPARG
SCHEMBL9515466 0.80 SMN1; SMN2 (0.38) GABRA5MMP1SMN1; SMN2LMNASTAT3

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