SCHEMBL30709089

SCHEMBL30709089

CCOC(=O)c1oc2ccc(S(=O)(=O)NCCc3ccc(I)cc3)cc2c1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 2/20 0.61
▸ HIF1A Q16665 11/20 0.56
▸ USP2 O75604 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL26603297 1.00 PARG (0.61) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL26603484 0.91 PARG (0.62) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL26603242 0.90 HIF1A (0.67) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL30709163 0.90 HIF1A (0.67) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL26603489 0.90 PARG (0.61) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL26603441 0.90 HIF1A (0.67) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL30709112 0.90 PARG (0.61) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL26603260 0.90 PARG (0.61) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL24641448 0.90 GAA (0.63) PARGHIF1AUSP2HPGDHSD17B10
SCHEMBL30017496 0.90 GAA (0.63) PARGHIF1AUSP2HPGDHSD17B10

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-116903563-A GPCR modulators and uses thereof 北京昌平实验室 2023-10-20 — — CN disclosed
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