SCHEMBL30709080

SCHEMBL30709080

CCOC(=O)c1oc2ccc(S(=O)(=O)NCCc3cc(OC)cc(OC)c3)cc2c1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.58
▸ HIF1A Q16665 12/20 0.58
▸ MAPT P10636 1/20 0.56
▸ USP2 O75604 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL26603361 1.00 PARG (0.60) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL26603402 0.93 ALDH1A1 (0.66) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL26603266 0.92 PARG (0.57) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL30709059 0.92 PARG (0.57) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL26603368 0.90 PARG (0.55) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL30709093 0.90 PARG (0.55) PARGALDH1A1HIF1AMAPTUSP2
SCHEMBL26603286 0.89 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL24641448 0.87 GAA (0.63) PARGALDH1A1HIF1AUSP2LMNA
SCHEMBL30017496 0.87 GAA (0.63) PARGALDH1A1HIF1AUSP2LMNA
SCHEMBL26603358 0.87 HIF1A (0.68) PARGALDH1A1HIF1AUSP2SMN1; SMN2

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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