SCHEMBL8935311

SCHEMBL8935311

CCc1cc2nc(OC)c(OC)nc2c(NS(C)(=O)=O)c1Cl.CS(=O)(=O)OS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPY1R P25929 1/20 0.31
CCR4 P51679 2/20 0.31
BRAF P15056 1/20 0.31
PDE10A Q9Y233 2/20 0.31
EPHX2 P34913 1/20 0.30
GRM1 Q13255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PIK3CA P42336 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
SCHEMBL7465420 0.96 SMN1; SMN2 (0.33) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7466587 0.82 CCR4 (0.36) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7467654 0.82 NPY1R (0.37) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7468793 0.81 CCR4 (0.36) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7470948 0.81 GLP1R (0.33) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7475650 0.78 CCR4 (0.35) CCR4KDM4EMAPTPIK3CA
SCHEMBL7476942 0.76 ALDH1A1 (0.38) SMN1; SMN2HIF1AALDH1A1GAANPY1R
SCHEMBL7462801 0.75 CCR4 (0.36) SMN1; SMN2HIF1ACCR4BRAFLMNA
SCHEMBL8935248 0.75 PIK3CA (0.32) PIK3CA
SCHEMBL7468982 0.73 ALDH1A1 (0.45) SMN1; SMN2HIF1AALDH1A1GAANPY1R

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
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed