SCHEMBL26603305

SCHEMBL26603305

CCOC(=O)c1oc2ccc(S(=O)(=O)NCCc3cccc(OCC)c3)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 2/20 0.57
▸ HIF1A Q16665 12/20 0.55
▸ GAA P10253 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ USP2 O75604 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL30709126 1.00 PARG (0.57) PARGHIF1AGAAKDM4EALDH1A1
SCHEMBL26603266 0.93 PARG (0.57) PARGHIF1AGAAALDH1A1USP2
SCHEMBL30709059 0.93 PARG (0.57) PARGHIF1AGAAALDH1A1USP2
SCHEMBL30709172 0.92 PARG (0.53) PARGHIF1AGAAALDH1A1USP2
SCHEMBL26603324 0.92 PARG (0.53) PARGHIF1AGAAALDH1A1USP2
SCHEMBL30709104 0.92 GAA (0.63) PARGHIF1AGAAKDM4EALDH1A1
SCHEMBL26603248 0.92 GAA (0.63) PARGHIF1AGAAKDM4EALDH1A1
SCHEMBL26603374 0.92 HIF1A (0.55) PARGHIF1AGAAUSP2LMNA
SCHEMBL30709107 0.91 HIF1A (0.55) PARGHIF1AGAAUSP2LMNA
SCHEMBL26603319 0.91 HIF1A (0.55) PARGHIF1AGAAUSP2LMNA

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-2023202582-A1 GPCR REGULATOR AND USE THEREOF 北京昌平实验室 2023-10-26 — — WO disclosed
Send feedback