SCHEMBL29504580

SCHEMBL29504580

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.68
MAPT P10636 6/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 4/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HSP90AA1 P07900 1/20 0.46
CXCR5 P32302 1/20 0.46
APLNR P35414 1/20 0.46
CCR6 P51684 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL19435012 1.00 HSPB1 (0.68) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL28033541 0.88 HSPB1 (0.71) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL20932230 0.86 HSPB1 (0.82) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL10468493 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL177664 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11198841 0.82 HSPB1 (0.75) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL177792 0.81 HSPB1 (0.59) HSPB1MAPTNPSR1LMNAALDH1A1
SCHEMBL4716681 0.81 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL9449124 0.81 HSPB1 (1.00) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11274403 0.81 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1

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
CN-109415381-B Thiazolopyridine derivatives as GPR119 agonists 人类制药有限公司 2022-03-25 CN disclosed